{ "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" [ [ 0.6305471 0.004372 1.304235 ] [ 0.7154426 1.383697 2.938133 ] [ 2.486494 1.164331 0.5043625 ] [ 2.840403 0.4835428 2.252778 ] [ 2.544628 2.936148 1.00011 ] [ 2.473494 2.502288 2.980444 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.305471000000001e-11 4.372e-13 1.304235e-10 ] [ 7.154426000000001e-11 1.383697e-10 2.938133e-10 ] [ 2.486494e-10 1.164331e-10 5.043625000000001e-11 ] [ 2.840403e-10 4.835428e-11 2.252778e-10 ] [ 2.544628e-10 2.936148e-10 1.00011e-10 ] [ 2.473494e-10 2.502288e-10 2.980444e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.1304072 -2.0288493 -1.8403631 ] [ -4.178202 -0.0310282 2.7573542 ] [ -0.5615372 -4.5687014 -10.068862 ] [ 3.0301611 -5.5962793 6.1290247 ] [ 0.4029639 8.7931021 -2.8534038 ] [ 2.4370214 3.431756 5.8762499 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.81111198782399e-09 -3.250574915586446e-09 -2.948586732603013e-09 ] [ -6.694217561379802e-09 -4.971265662550656e-11 4.417768434504688e-09 ] [ -8.996817735494937e-10 -7.319866570496229e-09 -1.613209529446153e-08 ] [ 4.854853271677611e-09 -8.96622785792699e-09 9.819780082645735e-09 ] [ 6.456193396063892e-10 1.408810260892738e-08 -4.57165685806188e-09 ] [ 3.904538711469285e-09 5.498279231490125e-09 9.414790207758338e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.962118 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.397195565725085e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8042695 0.4400129 0.9420919 ] [ 0.7654123 1.6551242 3.088812 ] [ 3.1315934 1.1696637 0.5712131 ] [ 2.5266186 -0.0154481 2.6486842 ] [ 1.3703815 2.8402406 1.0113378 ] [ 3.0927333 2.3847855 2.7179237 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.042695e-11 4.400129e-11 9.420919e-11 ] [ 7.654123000000001e-11 1.6551242e-10 3.088812e-10 ] [ 3.1315934e-10 1.1696637e-10 5.712131000000001e-11 ] [ 2.5266186e-10 -1.54481e-12 2.6486842e-10 ] [ 1.3703815e-10 2.8402406e-10 1.0113378e-10 ] [ 3.0927333e-10 2.3847855e-10 2.7179237e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.61e-05 -7.3e-06 1.17e-05 ] [ -1.25e-05 -3.1e-06 -7.6e-06 ] [ 8.4e-06 1.8e-05 -7.1e-06 ] [ 9.8e-06 -1.31e-05 1.51e-05 ] [ -2.1e-06 1.51e-05 -1.55e-05 ] [ 1.26e-05 -9.6e-06 3.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.579504359488e-14 -1.169588933184e-14 1.874546646336e-14 ] [ -2.002720776e-14 -4.96674752448e-15 -1.217654231808e-14 ] [ 1.345828361472e-14 2.88391791744e-14 -1.137545400768e-14 ] [ 1.570133088384e-14 -2.098851373248e-14 2.419286697408e-14 ] [ -3.36457090368e-15 2.419286697408e-14 -2.48337376224e-14 ] [ 2.018742542208e-14 -1.538089555968e-14 5.6076181728e-15 ] ] } "relaxed-potential-energy" { "source-value" -20.568499 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.295436822274818e-18 } }