{ "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" [ 5.4726 0 0 ] "si-unit" "m" "si-value" [ 5.4726e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.038105 5.56078 0 ] "si-unit" "m" "si-value" [ 3.8105e-12 5.560780000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0300683 -0.0732695 5.55519 ] "si-unit" "m" "si-value" [ -3.00683e-12 -7.32695e-12 5.55519e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0119551 0.065874 -0.0174062 ] [ 1.35048 1.36142 1.35358 ] [ 0.0629681 2.82177 2.8468 ] [ 1.33242 4.00392 4.21267 ] [ 2.75302 -0.0155517 2.72 ] [ 4.0777 1.32793 4.00537 ] [ 2.56601 2.8685 0.00815077 ] [ 4.04738 3.99965 1.27482 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.19551e-12 6.587400000000001e-12 -1.74062e-12 ] [ 1.35048e-10 1.36142e-10 1.35358e-10 ] [ 6.296810000000001e-12 2.82177e-10 2.8468e-10 ] [ 1.33242e-10 4.00392e-10 4.21267e-10 ] [ 2.75302e-10 -1.55517e-12 2.72e-10 ] [ 4.0777e-10 1.32793e-10 4.00537e-10 ] [ 2.56601e-10 2.8685e-10 8.15077e-13 ] [ 4.047380000000001e-10 3.99965e-10 1.27482e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.383577 -1.358181 -0.8342722 ] [ 0.1024538 0.8264683 0.9510483 ] [ -1.973114 -2.2715778 -2.5162671 ] [ 0.0692232 4.3982284 -0.6663864 ] [ -1.0511349 -1.6299932 -0.7056977 ] [ 0.5948242 1.1390494 2.2505259 ] [ 1.9512767 -3.6496608 -0.019302 ] [ 1.6900479 2.5456666 1.5403513 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.216734722476602e-09 -2.176045845014765e-09 -1.336651414223382e-09 ] [ 1.641490830721191e-10 1.324148188092321e-09 1.523747351511585e-09 ] [ -3.161277120973171e-09 -3.639468843488299e-09 -4.031504319308215e-09 ] [ 1.109077926569626e-10 7.046738715418591e-09 -1.067668710499077e-09 ] [ -1.684103762086946e-09 -2.611536997102978e-09 -1.130652356292332e-09 ] [ 9.530134267260634e-10 1.824958318616267e-09 3.605739981484879e-09 ] [ 3.126289909451775e-09 -5.847401207610225e-09 -3.09252131346816e-11 ] [ 2.707755233412136e-09 4.078607510871426e-09 2.467914840678887e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.36384 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.665911766971188e-18 } }