{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.488897 2.770028 3.014921 ] [ 0.2049674 2.791914 3.698619 ] [ 0.8141582 3.850123 1.870554 ] [ 0.3012674 5.24423 3.479153 ] [ 2.657762 5.04937 3.20133 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.488897e-10 2.770028e-10 3.014921e-10 ] [ 2.049674e-11 2.791914e-10 3.698619e-10 ] [ 8.141582e-11 3.850123e-10 1.870554e-10 ] [ 3.012674e-11 5.244230000000001e-10 3.479153e-10 ] [ 2.657762e-10 5.04937e-10 3.20133e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4069988 -0.8497086 0.6160257 ] [ -0.0707514 -0.0136375 1.3087601 ] [ 0.6318098 0.1118682 -3.5015997 ] [ -0.2301803 0.6540289 1.7641528 ] [ -0.7378769 0.097449 -0.1873388 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.52083962053655e-10 -1.361383253412699e-09 9.869819743519545e-10 ] [ -1.133562389688691e-10 -2.184968366616e-11 2.09686483445587e-09 ] [ 1.012270890352324e-09 1.792326146509786e-10 -5.610181174740293e-09 ] [ -3.687894952287302e-10 1.047869812907541e-09 2.826484371678858e-09 ] [ -1.18220911820838e-09 1.561305095203392e-10 -3.00149845528727e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -4.8567663992349495 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.781397577541236e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.4622804 2.7107517 3.1149942 ] [ 0.1881492 2.83245 3.7110666 ] [ 0.9513013 3.9180521 1.7524274 ] [ 0.2955951 5.1830541 3.6410823 ] [ 2.5697261 5.0613572 3.0450065 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4622804e-10 2.7107517e-10 3.1149942e-10 ] [ 1.881492e-11 2.83245e-10 3.7110666e-10 ] [ 9.513013000000001e-11 3.9180521e-10 1.7524274e-10 ] [ 2.955951e-11 5.1830541e-10 3.6410823e-10 ] [ 2.5697261e-10 5.0613572e-10 3.0450065e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.2e-06 1.28e-05 -1.55e-05 ] [ -1e-05 -1.81e-05 7.7e-06 ] [ 2.02e-05 -1.13e-05 4.8e-06 ] [ -4.1e-06 1.84e-05 5e-06 ] [ 2.2e-06 -1.8e-06 -2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.313784829056e-14 2.050786074624e-14 -2.48337376224e-14 ] [ -1.6021766208e-14 -2.899939683648e-14 1.233675998016e-14 ] [ 3.236396774016e-14 -1.810459581504e-14 7.69044777984e-15 ] [ -6.568924145279999e-15 2.948004982272e-14 8.010883104e-15 ] [ 3.52478856576e-15 -2.88391791744e-15 -3.2043532416e-15 ] ] } "relaxed-potential-energy" { "source-value" -5.34072039923495 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.55677736188388e-19 } }