{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.947833 2.66109 2.800328 ] [ 2.760428 0.8143556 5.686562 ] [ 2.02068 0.2574425 3.346376 ] [ 3.738236 1.129785 1.86566 ] [ 4.311233 0.7772723 4.159405 ] [ 3.473629 2.806736 4.589232 ] [ 4.175068 3.516721 2.41803 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.947833e-10 2.66109e-10 2.800328e-10 ] [ 2.760428e-10 8.143556e-11 5.686562e-10 ] [ 2.02068e-10 2.574425e-11 3.346376e-10 ] [ 3.738236e-10 1.129785e-10 1.86566e-10 ] [ 4.311233e-10 7.772723e-11 4.159405e-10 ] [ 3.473629e-10 2.806736e-10 4.589232e-10 ] [ 4.175068e-10 3.516721e-10 2.41803e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.167267 -0.2426447 -0.3290418 ] [ -1.337911 -0.1572284 0.2184738 ] [ 0.1870871 0.2642839 0.2135779 ] [ -0.1590594 0.3181989 -0.0360628 ] [ 1.8699436 -1.4449057 -1.1361599 ] [ -0.0271356 2.0422916 1.1444522 ] [ -0.3656577 -0.7799957 -0.0752394 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.679912768313536e-10 -3.887596655010297e-10 -5.271830792259495e-10 ] [ -2.143569724911149e-09 -2.519076666057907e-10 3.50033614617335e-10 ] [ 2.997465776732717e-10 4.234294858338451e-10 3.421895180995603e-10 ] [ -2.548412519984755e-10 5.098108383442772e-10 -5.777897504058624e-11 ] [ 2.995979918134587e-09 -2.314994131800659e-09 -1.820328829270466e-09 ] [ -4.347602391138048e-11 3.272111854376225e-09 1.833614558463126e-09 ] [ -5.858482181555002e-10 -1.24969087486453e-09 -1.205468076430195e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -20.275812 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.248543195413609e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9612691 2.6872607 2.753231 ] [ 2.8878878 0.6762454 5.3031976 ] [ 1.638813 0.3942185 3.3193506 ] [ 3.5527492 0.9260411 2.0015803 ] [ 4.8348102 1.2155185 4.0378189 ] [ 3.2433288 2.9767365 4.7894707 ] [ 4.308249 3.0873816 2.6609439 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9612691e-10 2.6872607e-10 2.753231e-10 ] [ 2.8878878e-10 6.762454e-11 5.303197600000001e-10 ] [ 1.638813e-10 3.942185000000001e-11 3.3193506e-10 ] [ 3.5527492e-10 9.260411e-11 2.0015803e-10 ] [ 4.8348102e-10 1.2155185e-10 4.037818900000001e-10 ] [ 3.2433288e-10 2.9767365e-10 4.7894707e-10 ] [ 4.308249e-10 3.0873816e-10 2.6609439e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.5e-06 -5.7e-06 4.4e-06 ] [ -4.6e-06 5.3e-06 -9e-07 ] [ 9e-07 2.4e-06 2.5e-06 ] [ 4.9e-06 5.8e-06 -2.9e-06 ] [ -4e-07 -1.5e-06 -2.3e-06 ] [ -1.7e-06 -2.6e-06 3.3e-06 ] [ -3.7e-06 -3.7e-06 -4.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.2097947936e-15 -9.13240673856e-15 7.04957713152e-15 ] [ -7.370012455680001e-15 8.491536090240001e-15 -1.44195895872e-15 ] [ 1.44195895872e-15 3.84522388992e-15 4.005441552e-15 ] [ 7.850665441919999e-15 9.292624400640001e-15 -4.646312200320001e-15 ] [ -6.408706483200001e-16 -2.4032649312e-15 -3.68500622784e-15 ] [ -2.72370025536e-15 -4.16565921408e-15 5.28718284864e-15 ] [ -5.928053496960001e-15 -5.928053496960001e-15 -6.889359469440001e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.43874 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.434864800740979e-18 } }