{ "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" [ 5.54692 0 0 ] "si-unit" "m" "si-value" [ 5.54692e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.123956 5.52099 0 ] "si-unit" "m" "si-value" [ 1.23956e-11 5.520990000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.202669 -0.109883 5.46638 ] "si-unit" "m" "si-value" [ 2.02669e-11 -1.09883e-11 5.466380000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.000314992 -0.0047744 0.0104344 ] [ 1.40487 1.33719 1.19876 ] [ 0.131099 2.68123 2.80213 ] [ 1.67848 4.08836 4.2255 ] [ 2.84099 -0.0865799 2.6392 ] [ 4.04763 1.27038 4.03721 ] [ 2.8307 2.64898 -0.0339665 ] [ 4.22323 4.11032 1.34741 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.14992e-14 -4.7744e-13 1.04344e-12 ] [ 1.40487e-10 1.33719e-10 1.19876e-10 ] [ 1.31099e-11 2.68123e-10 2.80213e-10 ] [ 1.67848e-10 4.08836e-10 4.225500000000001e-10 ] [ 2.84099e-10 -8.65799e-12 2.639200000000001e-10 ] [ 4.04763e-10 1.27038e-10 4.03721e-10 ] [ 2.8307e-10 2.64898e-10 -3.39665e-12 ] [ 4.22323e-10 4.11032e-10 1.34741e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -15.5674299 2.6383179 -0.1148878 ] [ 5.0426086 1.1113047 10.4018443 ] [ -1.1696489 0.4832461 0.2127642 ] [ 7.5140698 -7.9471443 -9.0041945 ] [ -16.7382106 6.5411968 5.0938392 ] [ 27.0364309 -18.5831301 -18.7747122 ] [ -15.7751044 27.1280491 22.2643723 ] [ 9.6572846 -11.3718402 -10.0790254 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.494177243721296e-08 4.227051292443949e-09 -1.840705486916652e-10 ] [ 8.079149673327452e-09 1.78050642359438e-09 1.666559188796608e-08 ] [ -1.873984137563803e-09 7.742456098916274e-10 3.408858297917028e-10 ] [ 1.203886705980505e-08 -1.273272890448628e-08 -1.442631003589131e-08 ] [ -2.681756991829112e-08 1.048015267135557e-08 8.16123014359325e-09 ] [ 4.331713785473558e-08 -2.977345683280208e-08 -3.008040519691473e-08 ] [ -2.527450366859058e-08 4.346392639402473e-08 3.567145706973684e-08 ] [ 1.547267573400804e-08 -1.821969665402188e-08 -1.61483789893725e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -29.38265 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.70761952750001e-18 } }