{ "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 8.14685 7.60098 7.262672 7.016873 6.823705 6.664556 6.52922 6.411488 6.307305 6.21387 6.129173 6.051717 5.980361 5.914215 5.852569 5.79485 5.740587 5.689389 5.640929 5.594929 5.55115 5.509389 5.469467 5.43123 5.392574 5.352738 5.311649 5.269226 5.225377 5.180005 5.133 5.08424 5.033588 4.980892 4.925979 4.868657 4.808702 4.745861 4.679843 4.61031 4.536864 4.459041 4.376285 4.287927 4.193155 4.090963 3.98009 3.858923 3.725354 3.57655 3.408585 3.215782 2.989501 2.71562 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.146850000000001e-10 7.60098e-10 7.262672000000001e-10 7.016873000000001e-10 6.823705e-10 6.664556e-10 6.52922e-10 6.411488e-10 6.307305000000001e-10 6.21387e-10 6.129173e-10 6.051717e-10 5.980361e-10 5.914215000000001e-10 5.852569e-10 5.794850000000001e-10 5.740587e-10 5.689389000000001e-10 5.640929e-10 5.594929e-10 5.55115e-10 5.509389e-10 5.469467e-10 5.43123e-10 5.392574e-10 5.352738e-10 5.311649000000001e-10 5.269226e-10 5.225377e-10 5.180005e-10 5.133e-10 5.08424e-10 5.033588e-10 4.980892e-10 4.925979e-10 4.868657e-10 4.808702000000001e-10 4.745861e-10 4.679843e-10 4.61031e-10 4.5368639999999995e-10 4.459041e-10 4.3762850000000006e-10 4.287927e-10 4.193155e-10 4.090963000000001e-10 3.9800900000000005e-10 3.858923e-10 3.725354e-10 3.5765500000000004e-10 3.408585e-10 3.215782e-10 2.989501e-10 2.71562e-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 0.124923 1.07177 2.25054 3.10829 3.46872 3.65398 3.80156 3.93131 4.0455 4.14593 4.23403 4.31101 4.37784 4.43537 4.48432 4.52531 4.55888 4.58551 4.60562 4.61959 4.62775 4.63041 4.62755 4.61831 4.60155 4.57591 4.53977 4.49119 4.42783 4.34685 4.24478 4.11736 3.95935 3.7642 3.52369 3.22744 2.86214 2.41059 1.85027 1.13754 0.185403 -1.11274 -2.89017 -5.28266 -8.38873 -12.4112 -18.1908 -26.9837 -40.2442 -60.4324 -95.1604 -162.867 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 2.00148711649182e-20 1.7171648510221797e-19 3.6057626018823597e-19 4.98002960969586e-19 5.557502133888479e-19 5.854321377103319e-19 6.0907706047490395e-19 6.29865302301054e-19 6.481605572846999e-19 6.64251217219962e-19 6.783663933655019e-19 6.906999490940339e-19 7.014072955390559e-19 7.106246177144579e-19 7.18467272337888e-19 7.250345943606539e-19 7.30413101320992e-19 7.34679697697334e-19 7.379016749083079e-19 7.401399156660059e-19 7.4144729179935e-19 7.41873470783994e-19 7.4141524826667e-19 7.39934837056854e-19 7.372495890182699e-19 7.33141608128694e-19 7.273513417734179e-19 7.195679676854459e-19 7.09416576532422e-19 6.964421501502899e-19 6.80088733247052e-19 6.596737985766239e-19 6.3435780558279e-19 6.0309132857028e-19 5.64557378345946e-19 5.17092895563696e-19 4.58565383123676e-19 3.86219097215406e-19 2.96445936059118e-19 1.82254000824036e-19 2.97048354473502e-20 -1.78280602771716e-19 -4.6305628422877795e-19 -8.46375441736644e-19 -1.3440227194934821e-18 -1.9884934639900797e-18 -2.91448747137672e-18 -4.32326536388658e-18 -6.44783168940228e-18 -9.68233792165416e-18 -1.5246376936209357e-17 -2.6094170184967797e-17 ] } }