{ "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" [ [ 0.4026012 -0.967707 4.4736552 ] [ -1.6003308 3.0536776 -3.8904654 ] [ -1.4905227 -0.6616687 -1.0106956 ] [ 2.0957707 -0.0084801 0.8935118 ] [ 3.2380604 -2.9323459 1.4312577 ] [ -1.5153134 2.8636654 -1.7474134 ] [ -4.0300409 -4.7968038 -3.0714118 ] [ 2.8997755 3.4496625 2.9215615 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.450382354603607e-10 -1.550437543958238e-09 7.167585830012595e-09 ] [ -2.564012614430527e-09 4.892530898489197e-09 -6.233212759265463e-09 ] [ -2.388080642386591e-09 -1.060110130589156e-09 -1.61931287440661e-09 ] [ 3.357794845761823e-09 -1.35866180739834e-11 1.431563728163281e-09 ] [ 5.187944712360694e-09 -4.6981360837857e-09 2.293127644172581e-09 ] [ -2.427799722667095e-09 4.588097791474263e-09 -2.799664919418495e-09 ] [ -6.45683736404433e-09 -7.685326966242407e-09 -4.920944219351881e-09 ] [ 4.645952549945667e-09 5.526968652686025e-09 4.680857570093991e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.63079 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.708681918896085e-18 } }