{ "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" [ 5.42631 0 0 ] "si-unit" "m" "si-value" [ 5.42631e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0419811 5.40206 0 ] "si-unit" "m" "si-value" [ -4.19811e-12 5.40206e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.291495 -0.184222 5.7849 ] "si-unit" "m" "si-value" [ -2.91495e-11 -1.84222e-11 5.7849e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.101951 0.0451697 -0.178669 ] [ 1.35762 1.34832 0.905447 ] [ 0.453616 2.71025 3.0057 ] [ 1.36179 4.05856 4.06079 ] [ 2.63302 -0.145655 3.08939 ] [ 4.07266 1.35506 3.53695 ] [ 2.85903 2.69843 0.171649 ] [ 4.20927 3.69056 1.74197 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.01951e-11 4.51697e-12 -1.78669e-11 ] [ 1.35762e-10 1.34832e-10 9.05447e-11 ] [ 4.53616e-11 2.71025e-10 3.0057e-10 ] [ 1.36179e-10 4.05856e-10 4.06079e-10 ] [ 2.63302e-10 -1.45655e-11 3.08939e-10 ] [ 4.07266e-10 1.35506e-10 3.53695e-10 ] [ 2.85903e-10 2.69843e-10 1.71649e-11 ] [ 4.20927e-10 3.69056e-10 1.74197e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.4998534 -1.5724045 -2.3337543 ] [ 0.254221 0.3460869 5.0954501 ] [ 0.2348449 -3.1642499 -5.0099409 ] [ -1.6623464 -0.9371668 8.5443471 ] [ 1.8356819 -0.0573123 -8.419149 ] [ 0.0005683 1.3633444 6.8608263 ] [ 1.0923865 1.3033623 -3.6900687 ] [ -1.2555027 2.7183399 -1.0477106 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.008534379054555e-10 -2.519269749096452e-09 -3.739086608957025e-09 ] [ 4.073069460721139e-10 5.544923445134945e-10 8.163811089932963e-09 ] [ 3.762630113940666e-10 -5.069687253916835e-09 -8.026810247700929e-09 ] [ -2.663372559694017e-09 -1.501506749120551e-09 1.368955327640566e-08 ] [ 2.941086647636724e-09 -9.182442790079818e-11 -1.348896380596447e-08 ] [ 9.105169811022e-13 2.184318541774749e-09 1.099225558779267e-08 ] [ 1.750196125597041e-09 2.088216622696498e-09 -5.912141848994755e-09 ] [ -2.011537089863912e-09 4.355260671049897e-09 -1.67861744251412e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -27.362059 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.38388515879294e-18 } }