{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.8594843 0.7172344 0.0157799 ] [ 0.2882733 0.8856534 2.226981 ] [ 1.449769 2.87204 1.321697 ] [ 2.751005 0.6869835 1.2059 ] [ 2.852604 2.214321 2.896583 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.594843e-11 7.172344000000001e-11 1.57799e-12 ] [ 2.882733e-11 8.856534000000001e-11 2.226981e-10 ] [ 1.449769e-10 2.87204e-10 1.321697e-10 ] [ 2.751005e-10 6.869835e-11 1.2059e-10 ] [ 2.852604e-10 2.214321e-10 2.896583e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.7658419 -0.4571027 -5.3883665 ] [ -2.90599 -1.4250957 2.8793879 ] [ -2.5188621 3.3668231 -2.6339662 ] [ 4.0583125 -2.995145 0.3117479 ] [ 4.1323815 1.5105203 4.8311969 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.431367265518164e-09 -7.323592652783117e-10 -8.633114901728361e-09 ] [ -4.65590927663766e-09 -2.283255031753873e-09 4.613288013602328e-09 ] [ -4.035662000888171e-09 5.394245301631445e-09 -4.220079100385771e-09 ] [ 6.502133460970125e-09 -4.798751334441929e-09 4.994752010785686e-10 ] [ 6.62080508207387e-09 2.42012032984267e-09 7.740430787433234e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.5880482 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.215739352370576e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.1567173 0.6554764 0.4092321 ] [ -0.7931404 1.1213282 1.8898828 ] [ 1.0622566 2.7852542 1.8788132 ] [ 3.4306284 0.4381508 1.0759127 ] [ 3.3446737 2.3760226 2.4131001 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1567173e-10 6.554764e-11 4.092321e-11 ] [ -7.931404e-11 1.1213282e-10 1.8898828e-10 ] [ 1.0622566e-10 2.7852542e-10 1.8788132e-10 ] [ 3.4306284e-10 4.381508e-11 1.0759127e-10 ] [ 3.3446737e-10 2.3760226e-10 2.4131001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.3e-06 4e-06 3e-06 ] [ 1.03e-05 -8.7e-06 -7.2e-06 ] [ -4.8e-06 1.45e-05 8.5e-06 ] [ -3e-06 -1.19e-05 1.3e-06 ] [ -1.2e-06 2.1e-06 -5.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.0828296242e-15 6.408706535999999e-15 4.806529901999999e-15 ] [ 1.65024193302e-14 -1.39389367158e-14 -1.15356717648e-14 ] [ -7.690447843199998e-15 2.3231561193e-14 1.3618501389e-14 ] [ -4.806529901999999e-15 -1.90659019446e-14 2.0828296242e-15 ] [ -1.9226119608e-15 3.364570931399999e-15 -8.972189150399999e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.164352 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.788726390815117e-18 } }