{ "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" [ "Mo" "Mo" ] } "a" { "source-value" [ 4.72523 4.408621 4.2124 4.069835 3.957796 3.865488 3.786992 3.718707 3.65828 3.604087 3.554962 3.510037 3.46865 3.430285 3.39453 3.361052 3.329579 3.299884 3.271777 3.245096 3.219705 3.195483 3.172328 3.15015 3.127729 3.104624 3.080793 3.056186 3.030754 3.004438 2.977175 2.948894 2.919515 2.888951 2.857102 2.823854 2.78908 2.752632 2.714341 2.674011 2.631413 2.586275 2.538275 2.487027 2.432059 2.372787 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.72523e-10 4.408621e-10 4.2124e-10 4.0698350000000006e-10 3.9577960000000003e-10 3.865488e-10 3.7869920000000005e-10 3.7187070000000005e-10 3.65828e-10 3.604087e-10 3.5549620000000004e-10 3.510037e-10 3.4686499999999997e-10 3.430285e-10 3.3945300000000003e-10 3.361052e-10 3.329579e-10 3.299884e-10 3.2717770000000004e-10 3.2450960000000003e-10 3.219705e-10 3.1954829999999997e-10 3.172328e-10 3.15015e-10 3.127729e-10 3.1046239999999997e-10 3.080793e-10 3.056186e-10 3.030754e-10 3.004438e-10 2.977175e-10 2.948894e-10 2.919515e-10 2.888951e-10 2.857102e-10 2.823854e-10 2.78908e-10 2.7526320000000003e-10 2.7143410000000003e-10 2.674011e-10 2.631413e-10 2.586275e-10 2.538275e-10 2.487027e-10 2.432059e-10 2.3727870000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.0246596 0.197462 0.67392 1.44235 2.30622 3.09381 3.74975 4.28513 4.72655 5.09677 5.41128 5.67979 5.90844 6.10166 6.26322 6.3967 6.5056 6.59328 6.66285 6.71717 6.75844 6.78739 6.80443 6.81 6.80399 6.78452 6.74916 6.69514 6.62018 6.52156 6.3958 6.23877 6.04543 5.80957 5.5234 5.17712 4.7583 4.25109 3.63539 2.88549 1.96832 0.840342 -0.558298 -2.31604 -4.57298 -7.55451 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.95090349237864e-21 3.16369002502908e-20 1.0797388771852798e-19 2.3108994680499e-19 3.69497179686348e-19 4.95683009203554e-19 6.0077618333415e-19 6.865535159652419e-19 7.572767969432699e-19 8.16592580287218e-19 8.669826376031519e-19 9.100026824026858e-19 9.466364511390958e-19 9.775937080612439e-19 1.0034784737601478e-18 1.02486432747078e-18 1.04231203101504e-18 1.0563599157419519e-18 1.06750625858469e-18 1.076209282060578e-18 1.082821465029096e-18 1.087459766384526e-18 1.090189875368862e-18 1.0910822877539998e-18 1.0901193795969658e-18 1.0869999416905678e-18 1.081334645112744e-18 1.072679686935876e-18 1.060669770887412e-18 1.0448691049229039e-18 1.02472013157372e-18 9.99561151890018e-19 9.685846688482618e-19 9.307957307587379e-19 8.849462420235598e-19 8.29466069541408e-19 7.6236370775622e-19 6.810997067031059e-19 5.824536913477259e-19 4.623064655640659e-19 3.15359631223488e-19 1.3463763169688279e-19 -8.944920104089319e-20 -3.7107051714093597e-19 -7.32672170374932e-19 -1.2103659403319339e-18 ] } }