{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.36644 0 0 ] "si-unit" "m" "si-value" [ 5.366440000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.227231 5.37948 0 ] "si-unit" "m" "si-value" [ -2.27231e-11 5.379480000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0350261 -0.0899265 5.39939 ] "si-unit" "m" "si-value" [ -3.50261e-12 -8.992650000000001e-12 5.399390000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00104229 0.0077963 0.00224549 ] [ 1.32493 1.37357 1.36608 ] [ -0.0958533 2.66355 2.80902 ] [ 1.19786 4.07015 4.22336 ] [ 2.70129 0.113781 2.60003 ] [ 3.9906 1.45175 3.98519 ] [ 2.48193 2.86985 0.00162227 ] [ 4.00824 4.16333 1.43322 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.04229e-13 7.7963e-13 2.24549e-13 ] [ 1.32493e-10 1.37357e-10 1.36608e-10 ] [ -9.58533e-12 2.66355e-10 2.80902e-10 ] [ 1.19786e-10 4.07015e-10 4.22336e-10 ] [ 2.70129e-10 1.13781e-11 2.60003e-10 ] [ 3.9906e-10 1.45175e-10 3.98519e-10 ] [ 2.48193e-10 2.86985e-10 1.62227e-13 ] [ 4.00824e-10 4.16333e-10 1.43322e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.0884276 1.2979177 -1.2329082 ] [ -0.2698292 0.6623545 -0.0988884 ] [ 1.0209368 0.7851042 -1.2149331 ] [ 0.598708 1.1495199 -1.5908432 ] [ -0.3273668 -1.0577014 0.4557388 ] [ -1.1172505 -0.689666 2.0609581 ] [ 1.507144 -0.9228438 0.6221177 ] [ -0.3239148 -1.2246852 0.9987583 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.743853254153454e-09 2.079493394662508e-09 -1.975336693632611e-09 ] [ -4.323140358491674e-10 1.061208894581674e-09 -1.584366825483187e-10 ] [ 1.635721072274366e-09 1.257875594131887e-09 -1.946537408656069e-09 ] [ 9.592359602859264e-10 1.841733908924354e-09 -2.548811782398658e-09 ] [ -5.244994333861095e-10 -1.694624454867429e-09 7.301740505514471e-10 ] [ -1.79003263067711e-09 -1.104966741360653e-09 3.302018884268389e-09 ] [ 2.414710880978996e-09 -1.478558761010231e-09 9.967424343258683e-10 ] [ -5.189687196911078e-10 -1.962161995279772e-09 1.600187198089953e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 158.98065 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.547150805895875e-17 } }