{ "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" [ [ 2.221555 1.50122 1.826509 ] [ 1.576881 2.934657 3.026633 ] [ 2.584327 1.716088 4.47164 ] [ 2.903501 3.607036 1.073051 ] [ 4.2877 3.061946 5.191695 ] [ 4.423391 1.863673 3.155042 ] [ 3.612063 4.220863 3.087476 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.221555e-10 1.50122e-10 1.826509e-10 ] [ 1.576881e-10 2.934657e-10 3.026633e-10 ] [ 2.584327e-10 1.716088e-10 4.47164e-10 ] [ 2.903501e-10 3.607036e-10 1.073051e-10 ] [ 4.2877e-10 3.061946e-10 5.191695e-10 ] [ 4.423391e-10 1.863673e-10 3.155042e-10 ] [ 3.612063e-10 4.220863e-10 3.087476e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.1518053 -6.6712104 -7.5841329 ] [ -10.7654106 4.5944079 4.9630558 ] [ -3.5415252 -5.2980822 8.5852481 ] [ 1.8154256 2.7869384 -6.6616826 ] [ 1.7993747 2.1928286 4.2854973 ] [ 8.0580107 -4.8582229 -3.2284179 ] [ 2.7859301 7.2533407 -0.3595678 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.432189025735302e-10 -1.068845733531782e-08 -1.21511204214201e-08 ] [ -1.72480891766325e-08 7.361052923798824e-09 7.951691970485842e-09 ] [ -5.674148877414045e-09 -8.488463435916629e-09 1.375508378958762e-08 ] [ 2.908632453121813e-09 4.465167548089759e-09 -1.067319211691016e-08 ] [ 2.882916076399014e-09 3.513298716341595e-09 6.866123582561525e-09 ] [ 1.291035635369624e-08 -7.783731149015177e-09 -5.172495681552233e-09 ] [ 4.463552073403006e-09 1.162113289223711e-08 -5.760911227524903e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -6.530116 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.046239918631201e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7121234 1.7550163 1.6808122 ] [ 1.3522221 2.8423633 3.3896574 ] [ 2.2852378 1.3532536 4.8745804 ] [ 3.4146963 3.8675935 1.1008034 ] [ 4.7561122 3.3369674 4.0422828 ] [ 4.1115116 1.2304284 3.4802482 ] [ 2.9775146 4.5198604 3.2636616 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7121234e-10 1.7550163e-10 1.6808122e-10 ] [ 1.3522221e-10 2.8423633e-10 3.3896574e-10 ] [ 2.2852378e-10 1.3532536e-10 4.8745804e-10 ] [ 3.4146963e-10 3.8675935e-10 1.1008034e-10 ] [ 4.756112199999999e-10 3.3369674e-10 4.0422828e-10 ] [ 4.1115116e-10 1.2304284e-10 3.4802482e-10 ] [ 2.9775146e-10 4.5198604e-10 3.2636616e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.88e-05 3.13e-05 -4.4e-06 ] [ 1.94e-05 9.1e-06 2.87e-05 ] [ -1.5e-05 -5.07e-05 1.42e-05 ] [ -7.2e-06 -1.03e-05 -3.3e-06 ] [ -1.94e-05 -9.7e-06 -5e-06 ] [ -7.1e-06 2.07e-05 1.15e-05 ] [ 1.05e-05 9.7e-06 -4.17e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.012092047104e-14 5.014812823104e-14 -7.04957713152e-15 ] [ 3.108222644352e-14 1.457980724928e-14 4.598246901696e-14 ] [ -2.4032649312e-14 -8.123035467456e-14 2.275090801536e-14 ] [ -1.153567166976e-14 -1.650241919424e-14 -5.28718284864e-15 ] [ -3.108222644352e-14 -1.554111322176e-14 -8.010883104e-15 ] [ -1.137545400768e-14 3.316505605055999e-14 1.84250311392e-14 ] [ 1.68228545184e-14 1.554111322176e-14 -6.681076508736e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.23956 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.281429012247885e-18 } }