{ "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" [ 5.4726 0 0 ] "si-unit" "m" "si-value" [ 5.4726e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.038105 5.56078 0 ] "si-unit" "m" "si-value" [ 3.8105e-12 5.560780000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0300683 -0.0732695 5.55519 ] "si-unit" "m" "si-value" [ -3.00683e-12 -7.32695e-12 5.55519e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0119551 0.065874 -0.0174062 ] [ 1.35048 1.36142 1.35358 ] [ 0.0629681 2.82177 2.8468 ] [ 1.33242 4.00392 4.21267 ] [ 2.75302 -0.0155517 2.72 ] [ 4.0777 1.32793 4.00537 ] [ 2.56601 2.8685 0.00815077 ] [ 4.04738 3.99965 1.27482 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.19551e-12 6.587400000000001e-12 -1.74062e-12 ] [ 1.35048e-10 1.36142e-10 1.35358e-10 ] [ 6.296810000000001e-12 2.82177e-10 2.8468e-10 ] [ 1.33242e-10 4.00392e-10 4.21267e-10 ] [ 2.75302e-10 -1.55517e-12 2.72e-10 ] [ 4.0777e-10 1.32793e-10 4.00537e-10 ] [ 2.56601e-10 2.8685e-10 8.15077e-13 ] [ 4.047380000000001e-10 3.99965e-10 1.27482e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.9277416 -6.8097826 -4.8813939 ] [ 2.1924768 6.0589137 5.54145 ] [ -10.8536227 -12.4490691 -15.2610312 ] [ -1.6291451 29.9020506 -4.3353848 ] [ -7.8681538 -10.2657029 -5.0240021 ] [ 4.7708546 8.1084691 10.2693187 ] [ 8.4217004 -24.3179 5.6068412 ] [ 9.8936314 9.7730212 8.0842022 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.895112384863586e-09 -1.091047447445064e-08 -7.820855183495733e-09 ] [ 3.512735070606398e-09 9.707449877584823e-09 8.878381635332159e-09 ] [ -1.738942054092418e-08 -1.99456074627437e-08 -2.445086739793937e-08 ] [ -2.610178191110878e-09 4.790836638529861e-08 -6.946052168731684e-09 ] [ -1.260617206721868e-08 -1.644746918245876e-08 -8.049338707470103e-09 ] [ 7.643751701356135e-09 1.299119962249922e-08 1.645326233268425e-08 ] [ 1.349305148826201e-08 -3.896157084695232e-08 8.983149887178217e-09 ] [ 1.585134492389277e-08 1.565810608122276e-08 1.295231976265993e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -29.691014 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.757024847864549e-18 } }