{ "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" [ [ 1.302275 0.3737398 2.647818 ] [ 0.2826825 1.480501 1.727575 ] [ 0.6414777 2.53008 2.452953 ] [ 2.763361 0.4669357 0.177905 ] [ 2.062003 2.101671 0.3497139 ] [ 2.601995 2.989286 1.853157 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.302275e-10 3.737398e-11 2.647818e-10 ] [ 2.826825e-11 1.480501e-10 1.727575e-10 ] [ 6.414777000000001e-11 2.53008e-10 2.452953e-10 ] [ 2.763361e-10 4.669357e-11 1.77905e-11 ] [ 2.062003e-10 2.101671e-10 3.497139e-11 ] [ 2.601995e-10 2.989286e-10 1.853157e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.2489395 -9.8661686 7.269513 ] [ -28.0586216 -51.2140082 -39.2879647 ] [ 13.8170182 54.6548472 40.5611569 ] [ 3.9691744 -7.1938177 -1.7948078 ] [ -0.3321437 5.3730482 -10.3444511 ] [ 8.3556331 8.246099 3.5965537 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.603198288493642e-09 -1.580734466779107e-08 1.164704377320167e-08 ] [ -4.495486753939389e-08 -8.20538865954995e-08 -6.294625852115569e-08 ] [ 2.21373035292081e-08 8.756671839723634e-08 6.49861372977806e-08 ] [ 6.359318427557867e-09 -1.152576653323723e-08 -2.875599095989482e-09 ] [ -5.321528708860089e-10 8.608572208471523e-09 -1.657363770742884e-08 ] [ 1.338720000480263e-08 1.321170703060226e-08 5.762314253591736e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 8.3518567 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.338114954501184e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.2004995 -0.5526127 2.1355426 ] [ 0.0447947 1.4682702 1.5382201 ] [ 0.7591659 3.1222299 3.1289789 ] [ 3.0734603 0.0666648 0.6768398 ] [ 1.9437575 2.096147 0.0592614 ] [ 2.6321164 3.7415143 1.670279 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2004995e-10 -5.526126999999999e-11 2.1355426e-10 ] [ 4.479470000000001e-12 1.4682702e-10 1.5382201e-10 ] [ 7.591659e-11 3.1222299e-10 3.1289789e-10 ] [ 3.0734603e-10 6.66648e-12 6.768398e-11 ] [ 1.9437575e-10 2.096147e-10 5.92614e-12 ] [ 2.6321164e-10 3.7415143e-10 1.670279e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.23e-05 2.57e-05 -1.81e-05 ] [ 1.19e-05 6e-07 -2.73e-05 ] [ -2.59e-05 7.7e-06 4.33e-05 ] [ -2.55e-05 1.19e-05 1.83e-05 ] [ -5.6e-06 -1.2e-06 1.98e-05 ] [ 1.28e-05 -4.47e-05 -3.6e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.175030485184e-14 4.117593915456e-14 -2.899939683648e-14 ] [ 1.906590178752e-14 9.6130597248e-16 -4.373942174784e-14 ] [ -4.149637447872e-14 1.233675998016e-14 6.937424768064e-14 ] [ -4.08555038304e-14 1.906590178752e-14 2.931983216064e-14 ] [ -8.972189076479999e-15 -1.92261194496e-15 3.172309709184e-14 ] [ 2.050786074624e-14 -7.161729494976001e-14 -5.76783583488e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.235572 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.76144305045151e-18 } }