{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.761721 1.020444 0.0090108 ] [ 0.5084234 2.183768 2.158754 ] [ 1.862989 0.5350959 1.816496 ] [ 0.5578759 0.1863455 0.8245653 ] [ 2.554812 2.767243 0.4680195 ] [ 2.723778 2.754915 2.18144 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.761721e-10 1.020444e-10 9.010799999999999e-13 ] [ 5.084234e-11 2.183768e-10 2.158754e-10 ] [ 1.862989e-10 5.350959e-11 1.816496e-10 ] [ 5.578759e-11 1.863455e-11 8.245652999999999e-11 ] [ 2.554812e-10 2.767243e-10 4.680195e-11 ] [ 2.723778e-10 2.754915e-10 2.18144e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 17.3191283 2.7731015 -51.5239462 ] [ -12.401827 8.7535061 7.6919845 ] [ 32.3672205 -6.0727098 38.7614963 ] [ -51.7136505 -26.2897731 -4.8401407 ] [ 3.958379 12.044579 -27.134568 ] [ 10.4707497 8.7912963 37.0451741 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.774830245489565e-08 4.442998390405411e-09 -8.2550462012997e-08 ] [ -1.98699172746062e-08 1.402466282345019e-08 1.232391773345598e-08 ] [ 5.18580039653785e-08 -9.729553666463044e-09 6.21027631590857e-08 ] [ -8.285440180732224e-08 -4.212085982695674e-08 -7.754760270922547e-09 ] [ 6.342022290065683e-09 1.929754288117864e-08 -4.347437046510782e-08 ] [ 1.677599037158862e-08 1.408520939838555e-08 5.935291185648568e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 23.794287 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.812265034000537e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1432808 0.8144235 -0.4371911 ] [ 0.2115985 1.9170052 2.7563731 ] [ 2.2347111 0.3892338 2.0890543 ] [ -0.0282307 0.3802971 0.7656522 ] [ 2.9344435 3.0146436 -0.0218882 ] [ 2.4737961 2.9322081 2.3062852 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1432808e-10 8.144235e-11 -4.371911e-11 ] [ 2.115985e-11 1.9170052e-10 2.7563731e-10 ] [ 2.2347111e-10 3.892338000000001e-11 2.0890543e-10 ] [ -2.82307e-12 3.802971e-11 7.656522000000001e-11 ] [ 2.9344435e-10 3.0146436e-10 -2.18882e-12 ] [ 2.4737961e-10 2.9322081e-10 2.3062852e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2e-06 -2e-07 -9e-07 ] [ -2.5e-06 -3.5e-06 1.3e-06 ] [ 1.8e-06 6.7e-06 4.3e-06 ] [ -2.3e-06 -4e-07 -1.6e-06 ] [ 3.6e-06 2e-06 -3.1e-06 ] [ 1.3e-06 -4.7e-06 -1e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.2043532416e-15 -3.2043532416e-16 -1.44195895872e-15 ] [ -4.005441552e-15 -5.6076181728e-15 2.08282960704e-15 ] [ 2.88391791744e-15 1.073458335936e-14 6.889359469440001e-15 ] [ -3.68500622784e-15 -6.408706483200001e-16 -2.56348259328e-15 ] [ 5.76783583488e-15 3.2043532416e-15 -4.96674752448e-15 ] [ 2.08282960704e-15 -7.53023011776e-15 -1.6021766208e-16 ] ] } "relaxed-potential-energy" { "source-value" -14.047461 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.250651359579979e-18 } }