{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Nb" "Nb" ] } "a" { "source-value" [ 4.29547 4.007658 3.829284 3.699686 3.597837 3.513925 3.442569 3.380495 3.325563 3.2763 3.231643 3.190804 3.153181 3.118306 3.085803 3.05537 3.026759 2.999765 2.974215 2.949961 2.926878 2.90486 2.883811 2.86365 2.849925 2.83548 2.820235 2.804097 2.786954 2.768672 2.749091 2.72801 2.70518 2.680286 2.652917 2.622524 2.588357 2.549343 2.503876 2.44939 2.381398 2.29092 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.29547e-10 4.007658e-10 3.829284e-10 3.699686e-10 3.597837e-10 3.513925e-10 3.4425690000000005e-10 3.380495e-10 3.325563e-10 3.2763000000000004e-10 3.231643e-10 3.190804e-10 3.153181e-10 3.1183060000000003e-10 3.085803e-10 3.05537e-10 3.026759e-10 2.999765e-10 2.974215e-10 2.949961e-10 2.926878e-10 2.90486e-10 2.8838110000000003e-10 2.8636499999999997e-10 2.849925e-10 2.83548e-10 2.820235e-10 2.804097e-10 2.786954e-10 2.7686720000000003e-10 2.749091e-10 2.72801e-10 2.70518e-10 2.680286e-10 2.652917e-10 2.622524e-10 2.588357e-10 2.549343e-10 2.503876e-10 2.4493900000000003e-10 2.381398e-10 2.29092e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.57496 2.04447 2.3901 2.66701 2.898 3.09519 3.26593 3.41511 3.54616 3.66165 3.76365 3.85353 3.93247 4.00158 4.0617 4.11356 4.15776 4.19484 4.22526 4.24944 4.26772 4.28044 4.28788 4.29031 4.28914 4.28527 4.27809 4.26682 4.25046 4.2277 4.19683 4.15551 4.10059 4.02762 3.93021 3.79884 3.61884 3.36633 3.00007 2.44255 1.52995 -0.151005 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.523364090695168e-19 3.2756020359269764e-19 3.82936234137408e-19 4.273021069439808e-19 4.6431078470784e-19 4.959041054933953e-19 5.232596691169344e-19 5.471609399460288e-19 5.681574645616128e-19 5.866610023552321e-19 6.030032038873921e-19 6.1740356735514245e-19 6.300511495997376e-19 6.411237922260864e-19 6.507560780703361e-19 6.590649660258048e-19 6.661465866897408e-19 6.720874575996673e-19 6.769612788801408e-19 6.808353419492352e-19 6.837641208120576e-19 6.858020894737152e-19 6.869941088795905e-19 6.873834377984448e-19 6.871959831338112e-19 6.865759407815616e-19 6.854255779678272e-19 6.836199249161857e-19 6.809987639645569e-19 6.773522099756159e-19 6.724062907472065e-19 6.657860969500607e-19 6.569869429486273e-19 6.452958601466496e-19 6.296890576834368e-19 6.086412634159872e-19 5.798020842415873e-19 5.393455223897665e-19 4.806642014763457e-19 3.9133965051350406e-19 2.45125012099296e-19 -2.4193668062390403e-20 ] } }