{ "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" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" ] } "a" { "source-value" [ 10.1861 9.503599 9.080612 8.77329 8.531771 8.332788 8.163576 8.016377 7.886116 7.769295 7.663398 7.566555 7.477339 7.394637 7.317561 7.245394 7.177549 7.113536 7.052947 6.995432 6.940696 6.888482 6.838568 6.79076 6.758213 6.723958 6.687807 6.649538 6.608885 6.565534 6.519099 6.469108 6.414971 6.355938 6.291035 6.218963 6.137941 6.045424 5.937605 5.808399 5.647167 5.43261 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.01861e-09 9.503599e-10 9.080612e-10 8.77329e-10 8.531771000000002e-10 8.332788000000001e-10 8.163576000000001e-10 8.016377e-10 7.886116e-10 7.769295e-10 7.663398e-10 7.566555000000001e-10 7.477339e-10 7.394637000000001e-10 7.317561000000001e-10 7.245394000000001e-10 7.177549e-10 7.113536e-10 7.052947e-10 6.995432e-10 6.940696e-10 6.888482e-10 6.838568000000001e-10 6.79076e-10 6.758212999999999e-10 6.723958e-10 6.687807000000001e-10 6.649538e-10 6.608885e-10 6.565534e-10 6.519099e-10 6.469108e-10 6.414971000000001e-10 6.355938e-10 6.291035e-10 6.218963e-10 6.137941e-10 6.045424e-10 5.937605e-10 5.808399e-10 5.647167e-10 5.432610000000001e-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" [ 0.157339 0.251154 0.336033 0.414799 0.485274 0.548143 0.604904 0.656625 0.704034 0.747569 0.787409 0.823577 0.856087 0.885018 0.910511 0.93273 0.951844 0.968031 0.981397 0.992086 1.00021 1.00589 1.00923 1.01032 1.00979 1.00805 1.00482 0.999749 0.992399 0.982198 0.968439 0.950085 0.925846 0.893925 0.85183 0.796023 0.720947 0.617214 0.468688 0.244982 -0.121555 -0.806507 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.5208486734005122e-20 4.0239306702040323e-20 5.3838421641728646e-20 6.645812601312191e-20 7.774946574820992e-20 8.782218994551745e-20 9.691630466284032e-20 1.0520292236328e-19 1.1279868150483072e-19 1.1977375742348353e-19 1.2615682908075074e-19 1.3195158148286016e-19 1.3716025767708097e-19 1.4179551485871743e-19 1.4587994371812288e-19 1.494398199518784e-19 1.5250222034487552e-19 1.5509566364096447e-19 1.5723713291232577e-19 1.589496995022989e-19 1.6025130778903682e-19 1.611613441096512e-19 1.6169647110099842e-19 1.6187110835266562e-19 1.617861929917632e-19 1.61507414259744e-19 1.6098991121122562e-19 1.6017744744681792e-19 1.5899984763052994e-19 1.5736546725965186e-19 1.5516103244709313e-19 1.522203974772768e-19 1.4833688156611968e-19 1.43222573574864e-19 1.364782110896064e-19 1.2753694402190784e-19 1.1550844282358976e-19 9.888858408304513e-20 7.509209560495105e-20 3.9250443291682565e-20 -1.9475257914134402e-20 -1.2921666599115458e-19 ] } }