{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "a" { "source-value" [ 8.32926 7.771169 7.425286 7.173984 6.976491 6.813779 6.675412 6.555045 6.448529 6.353003 6.266409 6.187219 6.114266 6.046639 5.983613 5.924601 5.869123 5.816779 5.767234 5.720204 5.675445 5.632749 5.591934 5.55284 5.513318 5.472591 5.430582 5.387208 5.342378 5.29599 5.247932 5.19808 5.146293 5.092417 5.036276 4.977669 4.916372 4.852124 4.784628 4.713537 4.638447 4.558881 4.474272 4.383935 4.287041 4.18256 4.069205 3.945325 3.808764 3.656629 3.484902 3.287782 3.056434 2.77642 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.32926e-10 7.771169e-10 7.425286e-10 7.173984e-10 6.976491000000001e-10 6.813779e-10 6.675412e-10 6.555045e-10 6.448529e-10 6.353003000000001e-10 6.266409000000001e-10 6.187219e-10 6.114266e-10 6.046639e-10 5.983613e-10 5.924601000000001e-10 5.869123e-10 5.816779000000001e-10 5.767234e-10 5.720204e-10 5.675445e-10 5.632749e-10 5.591934000000001e-10 5.55284e-10 5.513318000000001e-10 5.472591000000001e-10 5.430582e-10 5.387208e-10 5.342378e-10 5.29599e-10 5.247932e-10 5.198080000000001e-10 5.146293e-10 5.092417e-10 5.036276e-10 4.977669e-10 4.916372e-10 4.852124e-10 4.784628e-10 4.713537e-10 4.638447e-10 4.558881000000001e-10 4.474272e-10 4.3839350000000005e-10 4.2870410000000004e-10 4.18256e-10 4.0692050000000003e-10 3.945325e-10 3.808764e-10 3.656629e-10 3.484902e-10 3.287782e-10 3.056434e-10 2.77642e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0 0 0.441643 1.46554 2.47982 3.16448 3.43925 3.56493 3.67523 3.77196 3.85658 3.93029 3.99411 4.04889 4.09536 4.13417 4.16586 4.19094 4.20982 4.22291 4.23053 4.23301 4.23035 4.22179 4.20631 4.1827 4.14954 4.10511 4.04738 3.97388 3.88164 3.76702 3.62556 3.45176 3.23878 2.97801 2.65856 2.26648 1.78372 1.1866 0.443592 -0.487927 -3.8756 -8.0979 -12.4182 -16.7931 -21.9332 -30.2138 -46.8928 -67.4926 -99.7471 -169.435 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 7.07590095169662e-20 2.34805394419236e-19 3.97310966052588e-19 5.07005591476032e-19 5.5102859884845e-19 5.711647547845619e-19 5.88836763057582e-19 6.043346176382639e-19 6.17892236315172e-19 6.297018802843859e-19 6.39926971562574e-19 6.48703695163626e-19 6.56149009981824e-19 6.62367057498378e-19 6.67444355251524e-19 6.71462614249596e-19 6.7448752373458795e-19 6.765847729484939e-19 6.778056315436019e-19 6.78202971348834e-19 6.777767923641899e-19 6.76405329165486e-19 6.73925159736054e-19 6.701424207031799e-19 6.64829602984836e-19 6.57711132199974e-19 6.48461766491892e-19 6.366857682319919e-19 6.219072909599759e-19 6.03543142381068e-19 5.808787517165039e-19 5.53032921817584e-19 5.18909763866652e-19 4.771298037818339e-19 4.25948271208704e-19 3.63130129742832e-19 2.8578345055984795e-19 1.9011427939044e-19 7.10712737429328e-20 -7.81745238497718e-20 -6.2093957627304e-19 -1.2974266164468598e-18 -1.9896149876338798e-18 -2.6905512432425397e-18 -3.51408605488488e-18 -4.8407844384349195e-18 -7.51305484628352e-18 -1.0813506668790839e-17 -1.598124729292614e-17 -2.7146479798178997e-17 ] } }