{ "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" [ 5.45158 0 0 ] "si-unit" "m" "si-value" [ 5.45158e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0257054 5.42445 0 ] "si-unit" "m" "si-value" [ -2.57054e-12 5.424450000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0529382 0.0294769 5.34001 ] "si-unit" "m" "si-value" [ -5.29382e-12 2.94769e-12 5.34001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0143981 -0.000418648 -0.00412545 ] [ 1.32176 1.3194 1.55836 ] [ -0.0742391 2.6807 2.85755 ] [ 1.24493 4.07168 4.08922 ] [ 2.604 0.0471177 2.81384 ] [ 3.98318 1.33506 4.22092 ] [ 2.76065 2.8474 0.244257 ] [ 4.05568 4.10688 1.45974 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43981e-12 -4.18648e-14 -4.12545e-13 ] [ 1.32176e-10 1.3194e-10 1.55836e-10 ] [ -7.42391e-12 2.6807e-10 2.85755e-10 ] [ 1.24493e-10 4.07168e-10 4.08922e-10 ] [ 2.604e-10 4.71177e-12 2.81384e-10 ] [ 3.98318e-10 1.33506e-10 4.22092e-10 ] [ 2.76065e-10 2.8474e-10 2.44257e-11 ] [ 4.05568e-10 4.10688e-10 1.45974e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.1113034 -0.1299172 2.4490271 ] [ -0.6422915 1.2986724 -1.9441012 ] [ -0.5737516 0.0060768 -0.6665391 ] [ 1.0003834 -0.2210308 0.7884248 ] [ 1.6496429 -1.0434443 0.4222388 ] [ -0.6831499 1.2772802 -0.7804877 ] [ -1.7848829 -2.2584301 -1.5091986 ] [ 0.9227463 1.070793 1.2406359 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.783277067647556e-10 -2.081503021947048e-10 3.92377399565278e-09 ] [ -1.029064433516811e-09 2.080702574500701e-09 -3.11479351677136e-09 ] [ -9.192514072401143e-10 9.7361069694912e-12 -1.067913371667389e-09 ] [ 1.602790908521476e-09 -3.541303831543272e-10 1.263195792226123e-09 ] [ 2.643019308823998e-09 -1.671782076340486e-09 6.765011393281992e-10 ] [ -1.094526807299436e-09 2.046428491510847e-09 -1.250479156064402e-09 ] [ -2.859697676806158e-09 -3.618403935742283e-09 -2.418002732985512e-09 ] [ 1.478402560969954e-09 1.715599524450762e-09 1.98771785028156e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.270578 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.811187257327445e-18 } }