{ "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" [ 5.47613 0 0 ] "si-unit" "m" "si-value" [ 5.476130000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0968569 5.44973 0 ] "si-unit" "m" "si-value" [ -9.68569e-12 5.44973e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0334568 0.0277585 5.60527 ] "si-unit" "m" "si-value" [ -3.34568e-12 2.77585e-12 5.60527e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000509808 0.0158858 0.00549688 ] [ 1.34999 1.33014 1.19729 ] [ 0.0276425 2.69054 2.64154 ] [ 1.36667 4.13087 4.06954 ] [ 2.77416 0.0351576 2.5647 ] [ 4.07457 1.31666 4.03649 ] [ 2.84869 2.60665 0.046702 ] [ 4.10529 4.27129 1.35792 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.098080000000001e-14 1.58858e-12 5.49688e-13 ] [ 1.34999e-10 1.33014e-10 1.19729e-10 ] [ 2.76425e-12 2.69054e-10 2.64154e-10 ] [ 1.36667e-10 4.13087e-10 4.06954e-10 ] [ 2.77416e-10 3.51576e-12 2.5647e-10 ] [ 4.07457e-10 1.31666e-10 4.03649e-10 ] [ 2.84869e-10 2.60665e-10 4.6702e-12 ] [ 4.10529e-10 4.27129e-10 1.35792e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5351124 0.0183338 2.4274542 ] [ -0.4192727 -0.4663571 -1.6416487 ] [ -0.1154417 -0.8374183 -0.3657639 ] [ 0.3370211 0.8218456 -0.2784837 ] [ 0.7549008 -0.6107074 -1.1561903 ] [ -0.1080559 0.0913052 -0.1433042 ] [ -0.2903542 -1.8570707 1.0712988 ] [ 0.3763149 2.8400688 0.0866378 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.573445838436616e-10 2.93739859724292e-11 3.889210399345163e-09 ] [ -6.717489232140918e-10 -7.471864487200014e-10 -2.630211188376476e-09 ] [ -1.849579943292378e-10 -1.341692033144002e-09 -5.860183741407125e-10 ] [ 5.399673315849774e-10 1.31674181707571e-09 -4.461800770898657e-10 ] [ 1.209484422747907e-09 -9.784611264908916e-10 -1.85242108311745e-09 ] [ -1.731246381458406e-10 1.462870580026968e-10 -2.295986407940628e-10 ] [ -4.651987148237627e-10 -2.975355283226023e-09 1.716409905392239e-09 ] [ 6.029229398060466e-10 4.550291870312419e-09 1.388090587811652e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -0.4947086015624791 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.926105620622198e-20 } }