{ "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" [ [ 0.3527209 0.4565602 1.167471 ] [ 0.6414148 2.926013 0.4472085 ] [ 0.2560781 2.125953 2.651252 ] [ 2.793307 0.1807352 2.367537 ] [ 2.546309 2.149048 0.8335699 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.527209e-11 4.565602e-11 1.167471e-10 ] [ 6.414148e-11 2.926013000000001e-10 4.472085e-11 ] [ 2.560781e-11 2.125953e-10 2.651252e-10 ] [ 2.793307e-10 1.807352e-11 2.367537e-10 ] [ 2.546309e-10 2.149048e-10 8.335699e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6514714 -1.7005778 -0.539118 ] [ -2.4571397 1.1002739 -0.545098 ] [ -0.5617763 1.1090531 1.5871373 ] [ -1.1227333 0.4723575 -0.6580686 ] [ 3.4901778 -0.9811067 0.1551474 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.043772246199845e-09 -2.724625993011498e-09 -8.637622554524544e-10 ] [ -3.936771781379526e-09 1.762833119056437e-09 -8.733432716448384e-10 ] [ -9.00064853979527e-10 1.776898948045764e-09 2.542874276059636e-09 ] [ -1.798817044653633e-09 7.56800143159536e-10 -1.054342125802587e-09 ] [ 5.591881273595179e-09 -1.571906217250239e-09 2.485735370579059e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -9.1184184 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.460931677915254e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.3941415 0.3840912 1.5220046 ] [ 0.7445767 2.5970559 0.5624523 ] [ -0.235372 2.3716705 2.7803654 ] [ 2.6750476 0.180614 1.7616521 ] [ 3.0114359 2.3048778 0.8405641 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.941415e-11 3.840912e-11 1.5220046e-10 ] [ 7.445767e-11 2.5970559e-10 5.624523000000001e-11 ] [ -2.35372e-11 2.3716705e-10 2.7803654e-10 ] [ 2.6750476e-10 1.80614e-11 1.7616521e-10 ] [ 3.0114359e-10 2.3048778e-10 8.405641e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.3e-06 2.2e-06 4.1e-06 ] [ 7e-07 2.3e-06 9.3e-06 ] [ -3.4e-06 -3e-07 -8.4e-06 ] [ -2.6e-06 -3.8e-06 -1.1e-06 ] [ -2e-06 -4e-07 -3.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.169588933184e-14 3.52478856576e-15 6.568924145279999e-15 ] [ 1.12152363456e-15 3.68500622784e-15 1.490024257344e-14 ] [ -5.44740051072e-15 -4.8065298624e-16 -1.345828361472e-14 ] [ -4.16565921408e-15 -6.08827115904e-15 -1.76239428288e-15 ] [ -3.2043532416e-15 -6.408706483200001e-16 -6.24848882112e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.457994 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.675555348726667e-18 } }