{ "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" [ [ 2.024908 1.18877 2.927879 ] [ 1.938594 2.418534 4.826435 ] [ 2.412467 3.694527 2.059811 ] [ 3.090256 4.25078 4.272664 ] [ 3.913894 1.726388 1.808826 ] [ 4.03064 2.069757 3.989682 ] [ 4.599294 3.851686 2.39416 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.024908e-10 1.18877e-10 2.927879e-10 ] [ 1.938594e-10 2.418534e-10 4.826435e-10 ] [ 2.412467e-10 3.694527e-10 2.059811e-10 ] [ 3.090256e-10 4.25078e-10 4.272664e-10 ] [ 3.913894e-10 1.726388e-10 1.808826e-10 ] [ 4.03064e-10 2.069757e-10 3.989682e-10 ] [ 4.599294e-10 3.851686e-10 2.39416e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.6164496 -1.1393241 -6.7904742 ] [ -10.6929227 -0.4332242 8.2455636 ] [ -9.6991968 -2.2715018 -2.6356038 ] [ -0.9424194 11.2362504 6.3814347 ] [ 3.9207435 -7.9808399 -8.5180379 ] [ 15.246502 -6.4829563 7.1814941 ] [ 9.783743 7.0715958 -3.8643765 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.220289748262151e-08 -1.825398436534001e-09 -1.087953900738559e-08 ] [ -1.713195075796161e-08 -6.941016848047834e-10 1.321084922523948e-08 ] [ -1.553982635349817e-08 -3.639347078065117e-09 -4.22270279005164e-09 ] [ -1.509922329668364e-09 1.800245769633465e-08 1.022418548350186e-08 ] [ 6.281723571853564e-09 -1.278671510212781e-08 -1.364740117846833e-08 ] [ 2.442758905338044e-08 -1.038684101752807e-08 1.150602194943314e-08 ] [ 1.567528429851565e-08 1.132994546250747e-08 -6.191413682268932e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.838152 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.178422333427677e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9550568 1.2762214 2.9189338 ] [ 1.7837895 2.3909694 5.1378036 ] [ 2.3236345 3.5554185 1.9727931 ] [ 3.0483916 4.3332035 4.2301165 ] [ 4.0082156 1.7074691 1.5279694 ] [ 4.0996349 2.0401168 4.0247255 ] [ 4.7913301 3.8970434 2.467115 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9550568e-10 1.2762214e-10 2.9189338e-10 ] [ 1.7837895e-10 2.3909694e-10 5.1378036e-10 ] [ 2.3236345e-10 3.5554185e-10 1.9727931e-10 ] [ 3.0483916e-10 4.3332035e-10 4.2301165e-10 ] [ 4.0082156e-10 1.7074691e-10 1.5279694e-10 ] [ 4.0996349e-10 2.0401168e-10 4.0247255e-10 ] [ 4.791330099999999e-10 3.8970434e-10 2.467115e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0001107 -1.93e-05 8.4e-06 ] [ 4.54e-05 -3.17e-05 0.0001089 ] [ -8.52e-05 1.07e-05 -0.0002335 ] [ -1.01e-05 -2.8e-06 0.0001077 ] [ 2.58e-05 -0.0001016 -1.07e-05 ] [ -3.1e-06 1.84e-05 -3.02e-05 ] [ 0.0001378 0.0001264 4.95e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.7736095192256e-13 -3.092200878144e-14 1.345828361472e-14 ] [ 7.273881858432e-14 -5.078899887936e-14 1.7447703400512e-13 ] [ -1.3650544809216e-13 1.714328984256e-14 -3.741082409568e-13 ] [ -1.618198387008e-14 -4.48609453824e-15 1.7255442206016e-13 ] [ 4.133615681664e-14 -1.6278114467328e-13 -1.714328984256e-14 ] [ -4.96674752448e-15 2.948004982272e-14 -4.838573394816e-14 ] [ 2.2077993834624e-13 2.0251512486912e-13 7.930774272959999e-14 ] ] } "relaxed-potential-energy" { "source-value" -27.211343 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.359737757516974e-18 } }