{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.46856e-10 0.0 0.0 ] "source-value" [ 5.46856 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.09414e-11 5.47364e-10 0.0 ] "source-value" [ 0.109414 5.47364 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 8.53482e-12 1.88746e-11 5.50226e-10 ] "source-value" [ 0.0853482 0.188746 5.50226 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -2.115294191471946e-09 -1.89317883891227e-09 -1.351610296461143e-09 ] [ -1.267014089141606e-10 -2.653721987093319e-10 3.168534179977085e-09 ] [ 1.681795826664683e-09 -1.415691273021984e-09 -2.37088013516377e-10 ] [ -1.588957542154765e-09 5.630436372233434e-10 -1.129255418496657e-09 ] [ -6.210821648764993e-10 -5.825321932034304e-10 -2.386703872341439e-09 ] [ 8.579830441635667e-10 1.347355396009285e-09 1.586069458578111e-09 ] [ -2.617789972018637e-10 -2.120843810851073e-09 -2.325785912865381e-09 ] [ 2.174035273573323e-09 4.367219601900786e-09 2.675839875125801e-09 ] ] "source-value" [ [ -1.3202628 -1.1816293 -0.8436088 ] [ -0.0790808 -0.1656323 1.9776435 ] [ 1.0496944 -0.883605 -0.1479787 ] [ -0.9917493 0.3514242 -0.7048258 ] [ -0.387649 -0.363588 -1.4896634 ] [ 0.5355109 0.8409531 0.9899467 ] [ -0.1633896 -1.3237266 -1.4516414 ] [ 1.3569261 2.7258041 1.6701279 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.11998e-11 5.98912e-13 -1.42628e-11 ] [ 1.42992e-10 1.39997e-10 1.14788e-10 ] [ 3.44059e-12 2.83471e-10 2.60329e-10 ] [ 1.5648e-10 4.17845e-10 4.01026e-10 ] [ 2.81953e-10 7.576710000000001e-13 2.62729e-10 ] [ 4.17997e-10 1.38562e-10 3.91338e-10 ] [ 2.81257e-10 2.67111e-10 -1.66315e-11 ] [ 4.15871e-10 3.96748e-10 1.06238e-10 ] ] "source-value" [ [ 0.111998 0.00598912 -0.142628 ] [ 1.42992 1.39997 1.14788 ] [ 0.0344059 2.83471 2.60329 ] [ 1.5648 4.17845 4.01026 ] [ 2.81953 0.00757671 2.62729 ] [ 4.17997 1.38562 3.91338 ] [ 2.81257 2.67111 -0.166315 ] [ 4.15871 3.96748 1.06238 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.807743971674522e-18 "source-value" -36.249087 } }