{ "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" [ [ 1.993524 1.997967 0.9576204 ] [ 2.385878 2.876706 2.947868 ] [ 2.853087 4.16342 1.184171 ] [ 3.781435 0.9707609 1.823891 ] [ 5.674201 1.959984 2.894152 ] [ 4.915062 3.13192 0.9889037 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.993524e-10 1.997967e-10 9.576204e-11 ] [ 2.385878e-10 2.876706e-10 2.947868e-10 ] [ 2.853087e-10 4.16342e-10 1.184171e-10 ] [ 3.781435e-10 9.707609000000001e-11 1.823891e-10 ] [ 5.674201e-10 1.959984e-10 2.894152e-10 ] [ 4.915062e-10 3.13192e-10 9.889037000000001e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.9290833 -0.8692091 -4.7818254 ] [ -1.052881 0.0677071 5.343266 ] [ -1.6984862 8.2182813 -3.0074343 ] [ 3.285837 -6.1911916 2.0953583 ] [ 2.3368307 -0.582849 0.8051354 ] [ 0.057783 -0.6427386 -0.4545 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.692908822299612e-09 -1.392626510080169e-09 -7.661328923747702e-09 ] [ -1.686901336582554e-09 1.084787335759014e-10 8.560855934446643e-09 ] [ -2.721274902811451e-09 1.316713827049914e-08 -4.818440963750146e-09 ] [ 5.264491264532657e-09 -9.919382518137072e-09 3.357134108117962e-09 ] [ 3.744015545153863e-09 -9.338270489502658e-10 1.289969125086243e-09 ] [ 9.257857244242199e-11 -1.029780766689872e-09 -7.281892801529999e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -14.472853 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.31880669039168e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3679611 2.1134482 0.6283518 ] [ 2.0006555 2.6920718 2.9889113 ] [ 2.9081484 4.3632341 1.4582022 ] [ 3.733658 1.0401512 2.3811516 ] [ 5.8731575 2.036053 2.621908 ] [ 4.7196065 2.8557997 0.7180812 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3679611e-10 2.1134482e-10 6.283518000000001e-11 ] [ 2.0006555e-10 2.6920718e-10 2.9889113e-10 ] [ 2.9081484e-10 4.3632341e-10 1.4582022e-10 ] [ 3.733658e-10 1.0401512e-10 2.3811516e-10 ] [ 5.8731575e-10 2.036053e-10 2.621908e-10 ] [ 4.7196065e-10 2.8557997e-10 7.180812e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.5e-06 2.9e-06 8.2e-06 ] [ -4.98e-05 -1.85e-05 7.35e-05 ] [ 2.12e-05 -4.64e-05 -2.38e-05 ] [ 3.13e-05 9.51e-05 -6.05e-05 ] [ -3.36e-05 -1.63e-05 6.5e-06 ] [ 3.65e-05 -1.69e-05 -3.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.811971486999999e-15 4.6463122386e-15 1.31378483988e-14 ] [ -7.978839637319999e-14 -2.9640267729e-14 1.17759982599e-13 ] [ 3.39661446408e-14 -7.43409958176e-14 -3.81318038892e-14 ] [ 5.014812864419999e-14 1.523669978934e-13 -9.693168635699998e-14 ] [ -5.383313490239999e-14 -2.61154791342e-14 1.0414148121e-14 ] [ 5.847944714099999e-14 -2.70767851146e-14 -6.248488872599999e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.884378 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.865393254522365e-18 } }