{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.872972 1.012553 2.780557 ] [ 2.489863 2.81954 0.4602746 ] [ 1.064652 2.650766 2.601591 ] [ 2.280466 2.401905 4.700098 ] [ 2.677321 4.010574 3.508674 ] [ 4.446125 3.093023 2.174548 ] [ 4.337554 1.939772 4.152011 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872972e-10 1.012553e-10 2.780557e-10 ] [ 2.489863e-10 2.81954e-10 4.602746e-11 ] [ 1.064652e-10 2.650766e-10 2.601591e-10 ] [ 2.280466e-10 2.401905e-10 4.700098e-10 ] [ 2.677321e-10 4.010574e-10 3.508674e-10 ] [ 4.446125000000001e-10 3.093023e-10 2.174548e-10 ] [ 4.337554e-10 1.939772e-10 4.152011e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.848319 -0.5154519 -1.3811543 ] [ 0.3674178 -0.3499849 2.2897109 ] [ 0.2374802 -0.3821295 -1.0993843 ] [ -2.4104162 -3.1587424 3.0281949 ] [ 1.2538799 4.3518614 -2.2288642 ] [ -0.7157821 0.0997463 -1.2435071 ] [ 2.1157394 -0.045299 0.6350041 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.359156868780435e-09 -8.258449833269394e-10 -2.21285312917739e-09 ] [ 5.886682092257703e-10 -5.60737624413026e-10 3.668521272370927e-09 ] [ 3.804852243429082e-10 -6.122389510179936e-10 -1.761407822734574e-09 ] [ -3.861912482037576e-09 -5.060863224409682e-09 4.851703072005793e-09 ] [ 2.008937061071042e-09 6.972450592041958e-09 -3.571034112178095e-09 ] [ -1.146809346207128e-09 1.59811189871303e-10 -1.992318003418808e-09 ] [ 3.38978820238542e-09 -7.257699874561919e-11 1.017388723132145e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.504787 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.125011372508377e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.509726 0.782728 2.7381726 ] [ 2.8389045 2.334494 0.9464894 ] [ 1.1079052 2.7777139 2.5382411 ] [ 2.3013011 2.3254327 4.62541 ] [ 2.5569273 4.4216054 3.4997142 ] [ 4.4007512 3.5635535 2.2595242 ] [ 4.4534377 1.7226054 3.7702021 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.509726e-10 7.82728e-11 2.7381726e-10 ] [ 2.8389045e-10 2.334494e-10 9.464894000000001e-11 ] [ 1.1079052e-10 2.777713900000001e-10 2.5382411e-10 ] [ 2.3013011e-10 2.3254327e-10 4.62541e-10 ] [ 2.5569273e-10 4.4216054e-10 3.4997142e-10 ] [ 4.4007512e-10 3.5635535e-10 2.2595242e-10 ] [ 4.4534377e-10 1.7226054e-10 3.7702021e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.1e-06 7.4e-06 4.2e-06 ] [ -1.3e-06 8.5e-06 4.5e-06 ] [ 7.2e-06 5e-07 -5.8e-06 ] [ 2.8e-06 -1.4e-06 1.4e-06 ] [ 4.4e-06 -1.49e-05 -3.4e-06 ] [ -9e-06 -1.06e-05 1.2e-06 ] [ -6.2e-06 1.03e-05 -2.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.36457090368e-15 1.185610699392e-14 6.72914180736e-15 ] [ -2.08282960704e-15 1.36185012768e-14 7.2097947936e-15 ] [ 1.153567166976e-14 8.010883104e-16 -9.292624400640001e-15 ] [ 4.48609453824e-15 -2.24304726912e-15 2.24304726912e-15 ] [ 7.04957713152e-15 -2.387243164992e-14 -5.44740051072e-15 ] [ -1.44195895872e-14 -1.698307218048e-14 1.92261194496e-15 ] [ -9.93349504896e-15 1.650241919424e-14 -3.36457090368e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.541441 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.451319314854257e-18 } }