{ "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" [ 5.33088 0 0 ] "si-unit" "m" "si-value" [ 5.33088e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0480326 5.46857 0 ] "si-unit" "m" "si-value" [ 4.80326e-12 5.46857e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.109209 0.182969 5.33745 ] "si-unit" "m" "si-value" [ -1.09209e-11 1.82969e-11 5.33745e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0970486 -0.0788825 -0.10937 ] [ 1.39157 1.38931 1.26283 ] [ -0.0444574 2.82173 2.6602 ] [ 1.24826 4.17435 3.90061 ] [ 2.67605 0.0682538 2.80056 ] [ 3.9766 1.50429 4.31462 ] [ 2.81042 2.80539 0.0255717 ] [ 4.1826 4.03217 1.44291 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -9.70486e-12 -7.88825e-12 -1.0937e-11 ] [ 1.39157e-10 1.38931e-10 1.26283e-10 ] [ -4.44574e-12 2.82173e-10 2.6602e-10 ] [ 1.24826e-10 4.17435e-10 3.90061e-10 ] [ 2.67605e-10 6.825380000000001e-12 2.80056e-10 ] [ 3.9766e-10 1.50429e-10 4.31462e-10 ] [ 2.81042e-10 2.80539e-10 2.55717e-12 ] [ 4.1826e-10 4.03217e-10 1.44291e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 15.8676914 -13.9597284 13.9323131 ] [ -2.7681139 -0.4137979 0.6238682 ] [ 8.9390928 -15.2797258 10.6411874 ] [ -0.0569159 1.5749392 3.5465743 ] [ 3.3650884 1.2061285 -1.457788 ] [ -10.0381629 12.1715818 -19.5501112 ] [ -2.4056174 1.23849 3.0241129 ] [ -12.9030625 13.4621126 -10.7601566 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.542284439660274e-08 -2.23659506594662e-08 2.23220265063921e-08 ] [ -4.435007410830612e-09 -6.629773265782686e-10 9.995470527356387e-10 ] [ 1.432200561331763e-08 -2.448081965068696e-08 1.704906181029521e-08 ] [ -9.118932508308059e-11 2.523330786210652e-09 5.682238474204906e-09 ] [ 5.391466005824445e-09 1.932430900301469e-09 -2.335633870925592e-09 ] [ -1.608291004666568e-08 1.950102395877966e-08 -3.13227313567417e-08 ] [ -3.854223988623832e-09 1.98427973944266e-09 4.845163026957978e-09 ] [ -2.067298524454162e-08 2.156868225199698e-08 -1.723967148270088e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -30.577794 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.899102706606539e-18 } }