{ "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" [ [ 2.743053 2.538085 1.844122 ] [ 1.813323 2.641816 4.57084 ] [ 2.418782 4.209438 3.124504 ] [ 4.81693 2.098767 1.448798 ] [ 3.906107 2.029734 3.728536 ] [ 4.411251 4.516232 1.926861 ] [ 3.723923 4.053892 4.839487 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743053e-10 2.538085e-10 1.844122e-10 ] [ 1.813323e-10 2.641816e-10 4.57084e-10 ] [ 2.418782e-10 4.209438e-10 3.124504e-10 ] [ 4.81693e-10 2.098767e-10 1.448798e-10 ] [ 3.906107e-10 2.029734e-10 3.728536e-10 ] [ 4.411251e-10 4.516232e-10 1.926861e-10 ] [ 3.723923e-10 4.053892e-10 4.839487000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -14.1442001 -7.8085558 -10.0462337 ] [ -23.5597978 -13.1907654 4.2830974 ] [ -9.2433714 15.3693646 -1.3141192 ] [ 15.4437726 -2.6013818 -9.80447 ] [ 7.4059191 -11.4666711 6.7611078 ] [ 3.8323242 2.8909338 -1.6113412 ] [ 20.2653535 16.8070757 11.731959 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.266150690684046e-08 -1.251068564804518e-08 -1.609584089384337e-08 ] [ -3.774695753692459e-08 -2.113393610845566e-08 6.862278575426151e-09 ] [ -1.480951367646386e-08 2.462443684154676e-08 -2.105451076530773e-09 ] [ 2.474365160052943e-08 -4.167873136072861e-09 -1.570849274275398e-08 ] [ 1.186559053531431e-08 -1.837163250618307e-08 1.083248893711514e-08 ] [ 6.140060287152742e-09 4.631786584800829e-09 -2.581653220041521e-09 ] [ 3.246867585745011e-08 2.692790397240919e-08 1.8796670580846e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -8.747373 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.401483662948248e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2788724 2.2069421 1.9318456 ] [ 1.6114019 2.4789298 4.4921254 ] [ 2.4958985 4.6422171 2.9200224 ] [ 4.8582966 2.3289284 1.5373583 ] [ 4.1527167 1.6408321 3.9282598 ] [ 4.6409978 4.8242053 1.6010224 ] [ 3.795185 3.9659092 5.0725141 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2788724e-10 2.2069421e-10 1.9318456e-10 ] [ 1.6114019e-10 2.4789298e-10 4.4921254e-10 ] [ 2.4958985e-10 4.6422171e-10 2.9200224e-10 ] [ 4.8582966e-10 2.3289284e-10 1.5373583e-10 ] [ 4.1527167e-10 1.6408321e-10 3.9282598e-10 ] [ 4.6409978e-10 4.824205300000001e-10 1.6010224e-10 ] [ 3.795185e-10 3.9659092e-10 5.072514100000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.66e-05 1.99e-05 -0.0001033 ] [ -2.78e-05 -5.26e-05 6.16e-05 ] [ 5.28e-05 5.82e-05 -7.5e-06 ] [ 2.36e-05 -1.12e-05 6.81e-05 ] [ 3.26e-05 -2.62e-05 4.6e-06 ] [ -5.99e-05 -1.42e-05 -1.4e-06 ] [ 1.53e-05 2.61e-05 -2.21e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.86396648044e-14 3.18833150166e-14 -1.655048462922e-13 ] [ -4.454051042519999e-14 -8.42744909484e-14 9.86940806544e-14 ] [ 8.45949262752e-14 9.324668009879999e-14 -1.2016324755e-14 ] [ 3.78113685624e-14 -1.79443783008e-14 1.091082287754e-13 ] [ 5.22309582684e-14 -4.197702781079999e-14 7.370012516399999e-15 ] [ -9.597038037659999e-14 -2.27509082028e-14 -2.2430472876e-15 ] [ 2.45133025002e-14 4.18168101474e-14 -3.54081036114e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.508549 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.766484790704406e-18 } }