{ "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" [ [ 2.176849 1.681974 3.211274 ] [ 2.864727 5.809081 2.248654 ] [ 2.905691 3.612446 1.71083 ] [ 4.50356 2.090932 1.710731 ] [ 5.648677 2.904188 3.876429 ] [ 4.83518 4.522991 2.188517 ] [ 3.438619 4.083879 4.381538 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.176849e-10 1.681974e-10 3.211274e-10 ] [ 2.864727e-10 5.809081e-10 2.248654e-10 ] [ 2.905691e-10 3.612446e-10 1.71083e-10 ] [ 4.503560000000001e-10 2.090932e-10 1.710731e-10 ] [ 5.648677e-10 2.904188e-10 3.876429e-10 ] [ 4.835180000000001e-10 4.522991000000001e-10 2.188517e-10 ] [ 3.438619e-10 4.083879e-10 4.381538e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0 0.0 0.0 ] [ -0.6218923 -0.8348247 -0.3039431 ] [ -2.6952348 0.4150565 -0.2686514 ] [ 0.1926487 -0.9913202 -0.1550367 ] [ -0.7933311 1.5945471 -1.6591541 ] [ 3.9178095 -0.1834587 2.3867854 ] [ 0.0 0.0 0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 0.0 0.0 ] [ -9.963813037155398e-10 -1.337536616806374e-09 -4.869705288734766e-10 ] [ -4.318242184126564e-09 6.649938206110752e-10 -4.304269922251891e-10 ] [ 3.08657243167513e-10 -1.58827004816678e-09 -2.483961761059833e-10 ] [ -1.271056540973547e-09 2.554746084384439e-09 -2.658257909324465e-09 ] [ 6.277022785648138e-09 -2.93933240022361e-10 3.824051766746776e-09 ] [ 0.0 0.0 0.0 ] ] } "unrelaxed-potential-energy" { "source-value" -5.4665588 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.758392705588502e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.176849 1.681974 3.211274 ] [ 2.5715424 5.8066392 2.1858372 ] [ 3.1251147 3.7123161 1.8022597 ] [ 4.3164335 1.8713426 1.6193602 ] [ 4.9214412 3.6554132 3.5925055 ] [ 5.9259664 4.4493294 1.803098 ] [ 3.3359558 3.5284765 5.1136383 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.176849e-10 1.681974e-10 3.211274e-10 ] [ 2.5715424e-10 5.8066392e-10 2.1858372e-10 ] [ 3.1251147e-10 3.7123161e-10 1.8022597e-10 ] [ 4.3164335e-10 1.8713426e-10 1.6193602e-10 ] [ 4.921441200000001e-10 3.6554132e-10 3.5925055e-10 ] [ 5.9259664e-10 4.4493294e-10 1.803098e-10 ] [ 3.3359558e-10 3.5284765e-10 5.1136383e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0 0.0 0.0 ] [ -0.0368324 0.0690673 0.008583 ] [ 0.048768 -0.0548545 -0.0025445 ] [ -0.0119356 -0.0142128 -0.0060385 ] [ -0.1039518 0.0414481 0.0421379 ] [ 0.0434817 -0.0150078 -0.0203214 ] [ 0.0604701 -0.0264403 -0.0218165 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 0.0 0.0 ] [ -5.901201016795393e-11 1.106580133217798e-10 1.37514819363264e-11 ] [ 7.81349494431744e-11 -8.78865974456736e-11 -4.0767384116256e-12 ] [ -1.912293927522048e-11 -2.277141587610624e-11 -9.6747435247008e-12 ] [ -1.665491436500774e-10 6.640717679658048e-11 6.751235822960832e-11 ] [ 6.966536317263935e-11 -2.404514628964224e-11 -3.255847198192512e-11 ] [ 9.688378047743808e-11 -4.236203050693824e-11 -3.49538862476832e-11 ] ] } "relaxed-potential-energy" { "source-value" -11.291845 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.809153006469738e-18 } }