{ "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" [ [ 1.5621358 3.4421332 0.43688749999999993 ] [ 0.5948053 6.7722325 2.2599091999999996 ] [ 3.1390359 -1.6692706 -5.2011525999999995 ] [ -1.9148273 -3.5301707 -0.05275839999999999 ] [ 1.4833521 1.6082792 -5.658561599999999 ] [ -1.038536 2.7949285 0.5382685999999999 ] [ -3.6025586 -7.7784903 1.5500898999999997 ] [ -0.2234073 -1.6396418 6.127317399999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.502817457274705e-09 5.51490533871949e-09 6.999709384197599e-10 ] [ 9.529831455879302e-10 1.085031258212194e-08 3.620773685370831e-09 ] [ 5.029289930831887e-09 -2.674466329108788e-09 -8.333165096933133e-09 ] [ -3.067891532929588e-09 -5.655956962973171e-09 -8.45282750308147e-11 ] [ 2.376592055034584e-09 2.576747333958927e-09 -9.06601510287664e-09 ] [ -1.663918099059149e-09 4.477969099507613e-09 8.624013666307467e-10 ] [ -5.771935163981979e-09 -1.246251530377958e-08 2.48351779791821e-09 ] [ -3.579379529760518e-10 -2.626995758446429e-09 9.817044686501042e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.343248 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.618476985353636e-18 } }