{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.153386 0.865403 0.385702 ] [ 0.346614 0.134597 0.885702 ] [ 0.653386 0.634597 0.614298 ] [ 0.846614 0.365403 0.114298 ] [ 0.128373 0.142858 0.159272 ] [ 0.371627 0.857142 0.659272 ] [ 0.628373 0.357142 0.840728 ] [ 0.871627 0.642858 0.340728 ] [ 0.028042 0.678085 0.682443 ] [ 0.188766 0.521958 0.190663 ] [ 0.200258 0.191173 0.561822 ] [ 0.299742 0.808827 0.061822 ] [ 0.311234 0.478042 0.690663 ] [ 0.471958 0.321915 0.182443 ] [ 0.528042 0.821915 0.317557 ] [ 0.688766 0.978042 0.809337 ] [ 0.700258 0.308827 0.438178 ] [ 0.799742 0.691173 0.938178 ] [ 0.811234 0.021958 0.309337 ] [ 0.971958 0.178085 0.817557 ] [ 0.040386 0.225423 0.654726 ] [ 0.091803 0.387461 0.136252 ] [ 0.103758 0.123335 0.916355 ] [ 0.123775 0.617728 0.318564 ] [ 0.129201 0.806167 0.621632 ] [ 0.138581 0.535807 0.73614 ] [ 0.158036 0.138503 0.406382 ] [ 0.191747 0.908018 0.155997 ] [ 0.227862 0.635716 0.04994 ] [ 0.272138 0.364284 0.54994 ] [ 0.308253 0.091982 0.655997 ] [ 0.341964 0.861497 0.906382 ] [ 0.361419 0.464193 0.23614 ] [ 0.370799 0.193833 0.121632 ] [ 0.376225 0.382272 0.818564 ] [ 0.396242 0.876665 0.416355 ] [ 0.408197 0.612539 0.636252 ] [ 0.459614 0.774577 0.154726 ] [ 0.540386 0.274577 0.345274 ] [ 0.591803 0.112539 0.863748 ] [ 0.603758 0.376665 0.083645 ] [ 0.623775 0.882272 0.681436 ] [ 0.629201 0.693833 0.378368 ] [ 0.638581 0.964193 0.26386 ] [ 0.658036 0.361497 0.593618 ] [ 0.691747 0.591982 0.844003 ] [ 0.727862 0.864284 0.95006 ] [ 0.772138 0.135716 0.45006 ] [ 0.808253 0.408018 0.344003 ] [ 0.841964 0.638503 0.093618 ] [ 0.861419 0.035807 0.76386 ] [ 0.870799 0.306167 0.878368 ] [ 0.876225 0.117728 0.181436 ] [ 0.896242 0.623335 0.583645 ] [ 0.908197 0.887461 0.363748 ] [ 0.959614 0.725423 0.845274 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "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" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.53617425 "source-unit" "angstrom" } "b" { "source-value" 8.63891494 "source-unit" "angstrom" } "c" { "source-value" 8.85460536 "source-unit" "angstrom" } }