{ "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" [ [ 2.841627 2.849258 1.50686 ] [ 0.998489 4.149663 3.105849 ] [ 4.765797 1.647113 1.498592 ] [ 3.299037 1.906995 3.475865 ] [ 3.256514 4.175642 3.223298 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.841627e-10 2.849258e-10 1.50686e-10 ] [ 9.98489e-11 4.149663e-10 3.105849e-10 ] [ 4.765797e-10 1.647113e-10 1.498592e-10 ] [ 3.299037e-10 1.906995e-10 3.475865e-10 ] [ 3.256514e-10 4.175642e-10 3.223298000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.354984 0.1655261 -3.046058 ] [ -0.412916 -0.1884769 0.0750833 ] [ 0.4493564 -0.385723 0.3671507 ] [ 0.4266157 -1.6659357 1.3785403 ] [ 0.8919279 2.0746094 1.2252837 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.170923704243856e-09 2.652020497371474e-10 -4.880322953408771e-09 ] [ -6.615643670047439e-10 -3.019732852287546e-10 1.202967088636122e-10 ] [ 7.199483244183575e-10 -6.179963777963819e-10 5.882402726967437e-10 ] [ 6.835137062375537e-10 -2.669123252286433e-09 2.20866505768735e-09 ] [ 1.429026040592688e-09 3.323890705356759e-09 1.963120914161066e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.812659432689673 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.572161366045509e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3896534 2.8457602 0.9018961 ] [ 1.646299 3.515763 3.064234 ] [ 4.418268 2.3756303 2.0600057 ] [ 2.8626328 1.55828 3.6689723 ] [ 3.8446108 4.4332375 3.1153559 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3896534e-10 2.8457602e-10 9.018961e-11 ] [ 1.646299e-10 3.515763000000001e-10 3.064234e-10 ] [ 4.418268e-10 2.3756303e-10 2.0600057e-10 ] [ 2.8626328e-10 1.55828e-10 3.6689723e-10 ] [ 3.8446108e-10 4.4332375e-10 3.1153559e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0009501 -0.0008442 0.0025773 ] [ 0.0008495 -0.0004342 -0.0006707 ] [ -0.0013067 5.34e-05 -0.0005129 ] [ -0.000469 0.0004724 -0.001571 ] [ -2.39e-05 0.0007526 0.0001773 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.5222280199634e-12 -1.3525575144228e-12 4.129289838808199e-12 ] [ 1.361049050583e-12 -6.956650944827998e-13 -1.0745798684238e-12 ] [ -2.0935642076478e-12 8.555623225559998e-14 -8.217563955786e-13 ] [ -7.514208413459999e-13 7.568682419015999e-13 -2.517019492014e-12 ] [ -3.82920215526e-14 1.2057981347484e-12 2.840659172082e-13 ] ] } "relaxed-potential-energy" { "source-value" -12.674324432689673 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.03065064577907e-18 } }