{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.39006e-10 0.0 0.0 ] "source-value" [ 5.39006 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.3331e-11 5.36322e-10 0.0 ] "source-value" [ 0.23331 5.36322 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.60148e-11 -2.13292e-12 5.4933e-10 ] "source-value" [ -0.160148 -0.0213292 5.4933 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -2.461800293823266e-09 1.543081377556595e-08 3.569122715469481e-09 ] [ 2.598065896075292e-09 3.248270504952749e-10 -3.32793809655138e-09 ] [ 1.426524710678847e-09 -3.378624716344671e-09 1.856074511204149e-09 ] [ -2.311291181194666e-09 -1.213468433233797e-08 -8.184376721995273e-09 ] [ -2.536205215875556e-09 1.818223280798943e-08 3.942328610553447e-09 ] [ 3.284221425711556e-09 -1.115363585888348e-09 -3.466523330115001e-09 ] [ 9.273135524224589e-10 -1.263262111931017e-09 1.176263168398565e-08 ] [ -9.268288939946668e-10 -1.604593888754866e-08 -6.151319532768735e-09 ] ] "source-value" [ [ -1.5365349 9.6311565 2.2276712 ] [ 1.6215852 0.2027411 -2.0771356 ] [ 0.8903667 -2.1087717 1.1584706 ] [ -1.4425945 -7.5738743 -5.1082862 ] [ -1.5829748 11.3484572 2.460608 ] [ 2.0498498 -0.6961552 -2.1636337 ] [ 0.5787836 -0.7884662 7.3416573 ] [ -0.5784811 -10.0150874 -3.8393517 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.05355e-11 4.24721e-12 -3.04949e-12 ] [ 1.33629e-10 1.36991e-10 1.45967e-10 ] [ -5.353e-12 2.71357e-10 2.83859e-10 ] [ 1.26119e-10 4.17265e-10 4.20892e-10 ] [ 2.69817e-10 -7.83338e-12 2.63037e-10 ] [ 3.99124e-10 1.24872e-10 4.05842e-10 ] [ 2.76699e-10 2.61469e-10 7.47626e-12 ] [ 4.02836e-10 3.96527e-10 1.47431e-10 ] ] "source-value" [ [ 0.105355 0.0424721 -0.0304949 ] [ 1.33629 1.36991 1.45967 ] [ -0.05353 2.71357 2.83859 ] [ 1.26119 4.17265 4.20892 ] [ 2.69817 -0.0783338 2.63037 ] [ 3.99124 1.24872 4.05842 ] [ 2.76699 2.61469 0.0747626 ] [ 4.02836 3.96527 1.47431 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -2.675432281393469e-18 "source-value" -16.698735 } }