{ "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" [ 5.44141 0 0 ] "si-unit" "m" "si-value" [ 5.441410000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0387259 5.36248 0 ] "si-unit" "m" "si-value" [ 3.87259e-12 5.36248e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.184794 -0.00314768 5.51994 ] "si-unit" "m" "si-value" [ -1.84794e-11 -3.14768e-13 5.51994e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.139299 -0.0133288 0.0135909 ] [ 1.42253 1.35934 1.29237 ] [ 0.0199653 2.64656 2.62294 ] [ 1.43068 4.14401 3.95964 ] [ 2.73386 -0.0804287 2.7169 ] [ 4.04879 1.39288 4.20461 ] [ 2.82765 2.77065 0.103593 ] [ 4.1636 4.04392 1.34337 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.39299e-11 -1.33288e-12 1.35909e-12 ] [ 1.42253e-10 1.35934e-10 1.29237e-10 ] [ 1.99653e-12 2.64656e-10 2.62294e-10 ] [ 1.43068e-10 4.14401e-10 3.95964e-10 ] [ 2.73386e-10 -8.042870000000001e-12 2.7169e-10 ] [ 4.04879e-10 1.39288e-10 4.20461e-10 ] [ 2.827650000000001e-10 2.77065e-10 1.03593e-11 ] [ 4.1636e-10 4.04392e-10 1.34337e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.8425886 0.2631294 -0.7729591999999998 ] [ -0.2797062 -0.8931453 0.31679879999999994 ] [ 0.2733858 0.2183656 1.7870476999999998 ] [ -2.3441839 -2.139606 2.4868990999999996 ] [ 0.9141107 2.5798201 -0.6188257999999999 ] [ -1.1661051 0.8051868 -1.7623072999999998 ] [ -0.8342738 -0.720573 -2.5656503999999996 ] [ -0.4058162 -0.1131777 1.1289970999999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.156505668994771e-09 4.215797763984395e-10 -1.238417169275332e-09 ] [ -4.481387380249308e-10 -1.43097653042692e-09 5.07567635039239e-10 ] [ 4.380123408273972e-10 3.498602619893904e-10 2.863166068783441e-09 ] [ -3.755796670378992e-09 -3.428026739166204e-09 3.984451629135628e-09 ] [ 1.464566804429384e-09 4.133327484143543e-09 -9.91468237276357e-10 ] [ -1.868306344008233e-09 1.290051476965231e-09 -2.823527577987628e-09 ] [ -1.336653988718389e-09 -1.154485223691282e-09 -4.110625121892753e-09 ] [ -6.501892333386707e-10 -1.813306664298618e-10 1.808852773473761e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.624151 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.707618233828772e-18 } }