{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.654912 0.123802 0.044283 ] [ 0.345088 0.123802 0.455717 ] [ 0.872585 0.126098 0.528728 ] [ 0.345088 0.876198 0.955717 ] [ 0.654912 0.876198 0.544283 ] [ 0.127415 0.873902 0.471272 ] [ 0.127415 0.126098 0.971272 ] [ 0.872585 0.873902 0.028728 ] [ 0.154912 0.623802 0.044283 ] [ 0.845088 0.623802 0.455717 ] [ 0.372585 0.626098 0.528728 ] [ 0.845088 0.376198 0.955717 ] [ 0.154912 0.376198 0.544283 ] [ 0.627415 0.373902 0.471272 ] [ 0.627415 0.626098 0.971272 ] [ 0.372585 0.373902 0.028728 ] [ 0.691961 0.919858 0.872413 ] [ 0.069326 0.186655 0.432155 ] [ 0.930674 0.186655 0.067845 ] [ 0.308039 0.080142 0.127587 ] [ 0.308039 0.919858 0.627587 ] [ 0.691961 0.080142 0.372413 ] [ 0.069326 0.813345 0.932155 ] [ 0.930674 0.813345 0.567845 ] [ 0.191961 0.419858 0.872413 ] [ 0.569326 0.686655 0.432155 ] [ 0.430674 0.686655 0.067845 ] [ 0.808039 0.580142 0.127587 ] [ 0.808039 0.419858 0.627587 ] [ 0.191961 0.580142 0.372413 ] [ 0.569326 0.313345 0.932155 ] [ 0.430674 0.313345 0.567845 ] [ 0 0.480189 0.75 ] [ 0 0.034326 0.25 ] [ 0.920486 0.631009 0.901025 ] [ 0.208691 0.260668 0.24822 ] [ 0.079514 0.631009 0.598975 ] [ 0.920486 0.368991 0.401025 ] [ 0.791309 0.739332 0.75178 ] [ 0.208691 0.739332 0.74822 ] [ 0.150448 0.096576 0.663268 ] [ 0.849552 0.096576 0.836732 ] [ 0 0.519811 0.25 ] [ 0.791309 0.260668 0.25178 ] [ 0.150448 0.903424 0.163268 ] [ 0 0.965674 0.75 ] [ 0.849552 0.903424 0.336732 ] [ 0.079514 0.368991 0.098975 ] [ 0.5 0.980189 0.75 ] [ 0.5 0.534326 0.25 ] [ 0.420486 0.131009 0.901025 ] [ 0.708691 0.760668 0.24822 ] [ 0.579514 0.131009 0.598975 ] [ 0.420486 0.868991 0.401025 ] [ 0.291309 0.239332 0.75178 ] [ 0.708691 0.239332 0.74822 ] [ 0.650448 0.596576 0.663268 ] [ 0.349552 0.596576 0.836732 ] [ 0.5 0.019811 0.25 ] [ 0.291309 0.760668 0.25178 ] [ 0.650448 0.403424 0.163268 ] [ 0.5 0.465674 0.75 ] [ 0.349552 0.403424 0.336732 ] [ 0.579514 0.868991 0.098975 ] [ 0.090835 0.961865 0.257682 ] [ 0.003496 0.551525 0.642911 ] [ 0.909165 0.038135 0.742318 ] [ 0.11982 0.330203 0.217768 ] [ 0.808169 0.771965 0.634137 ] [ 0.406931 0.927549 0.741194 ] [ 0.88018 0.669797 0.782232 ] [ 0.774889 0.190953 0.34393 ] [ 0.00109 0.085592 0.140942 ] [ 0.406931 0.072451 0.241194 ] [ 0.225111 0.809047 0.65607 ] [ 0.090835 0.038135 0.757682 ] [ 0.996504 0.448475 0.357089 ] [ 0.084028 0.151406 0.588957 ] [ 0.658602 0.083243 0.535348 ] [ 0.191831 0.771965 0.865863 ] [ 0.808169 0.228035 0.134137 ] [ 0.658602 0.916757 0.035348 ] [ 0.224621 0.033467 0.611272 ] [ 0.775379 0.033467 0.888728 ] [ 0.00109 0.914408 0.640942 ] [ 0.191831 0.228035 0.365863 ] [ 0.915972 0.151406 0.911043 ] [ 0.19966 0.167996 0.754375 ] [ 0.003496 0.448475 0.142911 ] [ 0.979477 0.293933 0.457901 ] [ 0.80034 0.832004 0.245625 ] [ 0.341398 0.916757 0.464652 ] [ 0.99891 0.085592 0.359058 ] [ 0.225111 0.190953 0.15607 ] [ 0.979477 0.706067 0.957901 ] [ 0.775379 0.966533 0.388728 ] [ 0.99891 0.914408 0.859058 ] [ 0.774889 0.809047 0.84393 ] [ 0.020523 0.293933 0.042099 ] [ 0.593069 0.927549 0.758806 ] [ 0.80034 0.167996 0.745625 ] [ 0.084028 0.848594 0.088957 ] [ 0.88018 0.330203 0.282232 ] [ 0.224621 0.966533 0.111272 ] [ 0.996504 0.551525 0.857089 ] [ 0.915972 0.848594 0.411043 ] [ 0.341398 0.083243 0.964652 ] [ 0.19966 0.832004 0.254375 ] [ 0.909165 0.961865 0.242318 ] [ 0.020523 0.706067 0.542099 ] [ 0.593069 0.072451 0.258806 ] [ 0.11982 0.669797 0.717768 ] [ 0.590835 0.461865 0.257682 ] [ 0.503496 0.051525 0.642911 ] [ 0.409165 0.538135 0.742318 ] [ 0.61982 0.830203 0.217768 ] [ 0.308169 0.271965 0.634137 ] [ 0.906931 0.427549 0.741194 ] [ 0.38018 0.169797 0.782232 ] [ 0.274889 0.690953 0.34393 ] [ 0.50109 0.585592 0.140942 ] [ 0.906931 0.572451 0.241194 ] [ 0.725111 0.309047 0.65607 ] [ 0.590835 0.538135 0.757682 ] [ 0.496504 0.948475 0.357089 ] [ 0.584028 0.651406 0.588957 ] [ 0.158602 0.583243 0.535348 ] [ 0.691831 0.271965 0.865863 ] [ 0.308169 0.728035 0.134137 ] [ 0.158602 0.416757 0.035348 ] [ 0.724621 0.533467 0.611272 ] [ 0.275379 0.533467 0.888728 ] [ 0.50109 0.414408 0.640942 ] [ 0.691831 0.728035 0.365863 ] [ 0.415972 0.651406 0.911043 ] [ 0.69966 0.667996 0.754375 ] [ 0.503496 0.948475 0.142911 ] [ 0.479477 0.793933 0.457901 ] [ 0.30034 0.332004 0.245625 ] [ 0.841398 0.416757 0.464652 ] [ 0.49891 0.585592 0.359058 ] [ 0.725111 0.690953 0.15607 ] [ 0.479477 0.206067 0.957901 ] [ 0.275379 0.466533 0.388728 ] [ 0.49891 0.414408 0.859058 ] [ 0.274889 0.309047 0.84393 ] [ 0.520523 0.793933 0.042099 ] [ 0.093069 0.427549 0.758806 ] [ 0.30034 0.667996 0.745625 ] [ 0.584028 0.348594 0.088957 ] [ 0.38018 0.830203 0.282232 ] [ 0.724621 0.466533 0.111272 ] [ 0.496504 0.051525 0.857089 ] [ 0.415972 0.348594 0.411043 ] [ 0.841398 0.583243 0.964652 ] [ 0.69966 0.332004 0.254375 ] [ 0.409165 0.461865 0.242318 ] [ 0.520523 0.206067 0.542099 ] [ 0.093069 0.572451 0.258806 ] [ 0.61982 0.169797 0.717768 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 13.9511456591 "source-unit" "angstrom" } "b" { "source-value" 14.0296644213 "source-unit" "angstrom" } "c" { "source-value" 12.0152756944 "source-unit" "angstrom" } "beta" { "source-value" 90.2731561209 "source-unit" "degree" } }