{ "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" [ "S" "S" ] } "a" { "source-value" [ 5.52583 5.15558 4.926113 4.759394 4.628372 4.520426 4.42863 4.348776 4.27811 4.214736 4.157288 4.104751 4.056353 4.011487 3.969674 3.930525 3.893719 3.858993 3.826124 3.794923 3.765229 3.736903 3.709826 3.68389 3.65767 3.630651 3.602781 3.574005 3.544264 3.513489 3.481606 3.448533 3.414176 3.378434 3.341188 3.302306 3.26164 3.219017 3.174238 3.127074 3.077258 3.024472 2.968339 2.908408 2.844125 2.77481 2.699607 2.617422 2.526824 2.425894 2.311966 2.181191 2.027708 1.84194 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.52583e-10 5.15558e-10 4.926113e-10 4.759394e-10 4.628372e-10 4.5204259999999997e-10 4.4286300000000003e-10 4.348776e-10 4.27811e-10 4.2147360000000006e-10 4.1572880000000005e-10 4.1047510000000005e-10 4.0563529999999996e-10 4.011487e-10 3.969674e-10 3.9305249999999997e-10 3.893719e-10 3.858993e-10 3.8261240000000003e-10 3.794923e-10 3.7652290000000005e-10 3.736903e-10 3.709826e-10 3.68389e-10 3.65767e-10 3.630651e-10 3.602781e-10 3.5740050000000003e-10 3.5442640000000003e-10 3.513489e-10 3.4816060000000005e-10 3.448533e-10 3.414176e-10 3.378434e-10 3.341188e-10 3.3023060000000004e-10 3.26164e-10 3.219017e-10 3.174238e-10 3.127074e-10 3.0772580000000004e-10 3.024472e-10 2.968339e-10 2.908408e-10 2.844125e-10 2.77481e-10 2.699607e-10 2.617422e-10 2.526824e-10 2.425894e-10 2.3119660000000002e-10 2.1811910000000002e-10 2.027708e-10 1.84194e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0 8.27911e-42 1.56759e-06 0.00185393 0.0265114 0.107649 0.255927 0.460224 0.701519 0.961114 1.22363 1.47759 1.71494 1.93078 2.12312 2.29183 2.43731 2.55948 2.65749 2.72983 2.77464 2.78999 2.77228 2.71237 2.59845 2.41629 2.14896 1.77644 1.27525 0.617955 -0.227402 -1.29787 -2.63665 -4.29394 -6.32821 -8.80815 -11.8148 -15.4443 -19.812 -25.0584 -31.3564 -38.9226 -48.035 -59.0579 -72.5697 -90.1955 -115.799 -155.609 -218.425 -329.537 -586.54 -1201.96 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 1.326459659231574e-60 2.51155606969206e-25 2.97032332707162e-22 4.24759456146276e-21 1.7247271247346598e-20 4.10040259409718e-20 7.37360139206016e-20 1.123957350107046e-19 1.539874393410276e-19 1.9604713946614198e-19 2.3673601726320595e-19 2.7476367967119597e-19 3.0934506013945196e-19 3.4016132551780798e-19 3.67191647510022e-19 3.90500113181454e-19 4.10073905119032e-19 4.25776838308866e-19 4.37366984079222e-19 4.44546337576176e-19 4.47005678709366e-19 4.44168223890552e-19 4.345695836762579e-19 4.1631758746173e-19 3.87132337896786e-19 3.44301349940064e-19 2.84617065970296e-19 2.0431757525084999e-19 9.9007306186347e-20 -3.6433817092486794e-20 -2.07941698796958e-19 -4.2243790220360996e-19 -6.87965033579796e-19 -1.013891019704514e-18 -1.4112212118767099e-18 -1.89293964953832e-18 -2.4744496588486197e-18 -3.1742323472808e-18 -4.014798296542559e-18 -5.0238491406357596e-18 -6.23608802545284e-18 -7.696055461418999e-18 -9.462118743310858e-18 -1.162694776763898e-17 -1.4450912259194697e-17 -1.85530452040566e-17 -2.49313103840106e-17 -3.4995543128145e-17 -5.2797648143845795e-17 -9.397406829063599e-17 -1.92575222700264e-16 ] } }