{ "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" [ [ -1.801327815636089e-09 -1.519154071357413e-09 -7.258904711380761e-10 ] [ -1.902160160395488e-10 -3.733662729637075e-10 2.638781529886696e-09 ] [ 1.863081951090542e-09 -9.870603207887118e-10 -2.31482478173184e-10 ] [ -1.542484646874179e-09 1.812494345812416e-10 -1.232595009449946e-09 ] [ -3.760021739402477e-10 -2.745166217725478e-10 -2.177738384396978e-09 ] [ 4.884237030685421e-10 1.02540537407198e-09 1.160487929107208e-09 ] [ 5.23919765884704e-11 -1.641809183215743e-09 -1.752739566563059e-09 ] [ 1.50613302174251e-09 3.589251341009578e-09 2.32117645072734e-09 ] ] "source-value" [ [ -1.1243004 -0.9481814 -0.4530652 ] [ -0.1187235 -0.2330369 1.6469979 ] [ 1.1628443 -0.6160746 -0.14448 ] [ -0.9627432 0.113127 -0.7693253 ] [ -0.2346821 -0.1713398 -1.3592374 ] [ 0.3048501 0.6400077 0.7243196 ] [ 0.0327005 -1.0247367 -1.093974 ] [ 0.9400543 2.2402345 1.4487644 ] ] } "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" -5.830479819229646e-18 "source-value" -36.390993 } }