{ "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" [ [ 2.263215 2.218791 2.823685 ] [ 2.787552 3.729015 0.8142493 ] [ 2.212325 4.309555 3.289264 ] [ 3.882235 1.940561 0.9401229 ] [ 4.958804 1.525412 3.341241 ] [ 4.281489 4.073298 2.625609 ] [ 3.697667 3.229021 4.691712 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.263215e-10 2.218791e-10 2.823685e-10 ] [ 2.787552e-10 3.729015e-10 8.142493e-11 ] [ 2.212325e-10 4.309555e-10 3.289264e-10 ] [ 3.882235e-10 1.940561e-10 9.401229e-11 ] [ 4.958804e-10 1.525412e-10 3.341241e-10 ] [ 4.281489e-10 4.073298000000001e-10 2.625609e-10 ] [ 3.697667e-10 3.229021e-10 4.691712e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.2517647 -4.2627905 -1.8312273 ] [ -2.0712453 4.5817355 -1.2955292 ] [ -5.9747115 4.9372629 1.7394414 ] [ 1.5786858 -5.1468773 0.6687095 ] [ 0.0 0.0 0.0 ] [ 4.9850867 1.3146163 -2.7882355 ] [ 1.2304195 -1.4239469 3.5068412 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.033715196060198e-10 -6.829743334737178e-09 -2.933949591602908e-09 ] [ -3.31850082294232e-09 7.340749561268306e-09 -2.075666612904713e-09 ] [ -9.57254316019109e-09 7.910367254295077e-09 2.786892367292247e-09 ] [ 2.529333501187597e-09 -8.246206548125007e-09 1.071390735833823e-09 ] [ 0.0 0.0 0.0 ] [ 7.986989429204168e-09 2.106247518535534e-09 -4.467245768189306e-09 ] [ 1.971349372917963e-09 -2.281414451236735e-09 5.61857902978852e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.3725314 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.501645081051131e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2757046 2.1182172 2.768876 ] [ 2.7544605 3.8399402 0.7736205 ] [ 2.0733356 4.4129348 3.3422458 ] [ 3.9002469 1.8106259 0.9628525 ] [ 4.958804 1.525412 3.341241 ] [ 4.391158 4.1153191 2.5653214 ] [ 3.7295774 3.2032038 4.7717261 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2757046e-10 2.1182172e-10 2.768876e-10 ] [ 2.7544605e-10 3.8399402e-10 7.736205000000001e-11 ] [ 2.0733356e-10 4.412934800000001e-10 3.3422458e-10 ] [ 3.9002469e-10 1.8106259e-10 9.628525000000001e-11 ] [ 4.958804e-10 1.525412e-10 3.341241e-10 ] [ 4.391158e-10 4.1153191e-10 2.5653214e-10 ] [ 3.7295774e-10 3.2032038e-10 4.771726100000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.2063995 -0.6587825 -0.6471488 ] [ 0.3085366 0.8155064 -0.569126 ] [ -0.8939041 0.2661633 0.7094708 ] [ -0.4355249 -1.1182937 0.2979969 ] [ 0.0 0.0 0.0 ] [ 0.4933373 0.6299044 -0.2575849 ] [ 0.3211557 0.0655022 0.466392 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.30688456169283e-10 -1.055485928388105e-09 -1.036846686081139e-09 ] [ 4.943301312538043e-10 1.306585298957457e-09 -9.118403790018839e-10 ] [ -1.432192262056799e-09 4.264406200883321e-10 1.136697538265287e-09 ] [ -6.977878183051866e-10 -1.791704036089406e-09 4.774436701844346e-10 ] [ 0.0 0.0 0.0 ] [ 7.904134947406481e-10 1.009218111333789e-09 -4.126965080512265e-10 ] [ 5.145481584159137e-10 1.049460943155948e-10 7.472423646845279e-10 ] ] } "relaxed-potential-energy" { "source-value" -11.686298 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.872351359356093e-18 } }