{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.37157e-10 0.0 0.0 ] "source-value" [ 5.37157 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -7.42946e-13 5.447429999999999e-10 0.0 ] "source-value" [ -0.00742946 5.44743 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.24182e-12 1.292e-11 5.41398e-10 ] "source-value" [ 0.0324182 0.1292 5.41398 ] } "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" [ [ -2.472982845765801e-09 -1.127625684437979e-09 -7.889325002473932e-09 ] [ -1.155808451850837e-09 -5.267751490365275e-09 1.409880851332523e-08 ] [ -2.603667586194595e-09 9.377914670871669e-10 3.637724553801233e-09 ] [ -1.673590759754243e-09 5.744669963119853e-09 -1.210953592722724e-08 ] [ -1.254471673770401e-08 -1.701098209721433e-10 2.94671170530369e-09 ] [ 4.621079680936683e-09 9.33286675147762e-09 2.50022593659056e-09 ] [ 1.433398561078598e-08 3.587737764755908e-09 -3.695330653984435e-09 ] [ 1.495700929329156e-09 -1.303757911088281e-08 5.107210348825536e-10 ] ] "source-value" [ [ -1.5435145 -0.7038086 -4.9241294 ] [ -0.7213989 -3.2878719 8.7997842 ] [ -1.6250815 0.5853234 2.2704891 ] [ -1.0445732 3.585541 -7.5581779 ] [ -7.8297964 -0.1061742 1.8391928 ] [ 2.8842511 5.8251173 1.5605183 ] [ 8.9465702 2.2392898 -2.306444 ] [ 0.9335431 -8.1374169 0.318767 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.94164e-12 -8.530480000000001e-12 -5.27531e-12 ] [ 1.50657e-10 1.46533e-10 1.29324e-10 ] [ 3.76731e-12 2.77305e-10 2.66982e-10 ] [ 1.30492e-10 4.09759e-10 4.08062e-10 ] [ 2.57907e-10 1.7247e-12 2.67471e-10 ] [ 4.14556e-10 1.36588e-10 4.04305e-10 ] [ 2.78643e-10 2.5664e-10 5.69683e-12 ] [ 4.114969999999999e-10 4.06206e-10 1.21769e-10 ] ] "source-value" [ [ 0.0294164 -0.0853048 -0.0527531 ] [ 1.50657 1.46533 1.29324 ] [ 0.0376731 2.77305 2.66982 ] [ 1.30492 4.09759 4.08062 ] [ 2.57907 0.017247 2.67471 ] [ 4.14556 1.36588 4.04305 ] [ 2.78643 2.5664 0.0569683 ] [ 4.11497 4.06206 1.21769 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -2.912559067584069e-18 "source-value" -18.178764 } }