{ "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" [ [ 2.464863 1.11645 1.673921 ] [ 1.905798 2.509771 3.967609 ] [ 1.228636 3.135192 1.685921 ] [ 4.446536 2.449344 1.565667 ] [ 4.18286 2.007242 3.638636 ] [ 3.206224 4.029955 3.010958 ] [ 5.270591 3.951163 3.865389 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.464863e-10 1.11645e-10 1.673921e-10 ] [ 1.905798e-10 2.509771000000001e-10 3.967609e-10 ] [ 1.228636e-10 3.135192e-10 1.685921e-10 ] [ 4.446536e-10 2.449344e-10 1.565667e-10 ] [ 4.18286e-10 2.007242e-10 3.638636e-10 ] [ 3.206224e-10 4.029955e-10 3.010958e-10 ] [ 5.270591e-10 3.951163e-10 3.865389e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.764338 -3.6379168 -0.7368993 ] [ -7.9555838 -6.0185375 5.690109 ] [ -1.1053372 1.6438806 -1.5614472 ] [ 2.6856236 0.2632525 -16.5436335 ] [ 2.7483056 -15.6607462 14.209609 ] [ -4.3790643 17.3498796 -6.2022173 ] [ 8.770394 6.0601877 5.1444792 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.22460447398903e-09 -5.82858524537555e-09 -1.180642830343886e-09 ] [ -1.274625036917522e-08 -9.64276007390808e-09 9.116559609603668e-09 ] [ -1.770945419940534e-09 2.633787064706676e-09 -2.501714198453622e-09 ] [ 4.302843344188731e-09 4.21777000867152e-10 -2.650582281678368e-08 ] [ 4.403270979133717e-09 -2.509128142592244e-08 2.276630333050927e-08 ] [ -7.016034442439917e-09 2.779757146881486e-08 -9.937047555181302e-09 ] [ 1.405172022200459e-08 9.709491050599725e-09 8.242364300431888e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.090874 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.776953902703858e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4926076 0.9280531 2.1226402 ] [ 2.1382759 2.6805513 4.2234847 ] [ 1.618457 3.1241897 1.5507854 ] [ 4.3490152 2.804912 1.3216852 ] [ 4.4046645 1.2397392 3.5926993 ] [ 2.9902576 4.7931635 2.6674171 ] [ 4.7122303 3.6285082 3.9293891 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4926076e-10 9.280531e-11 2.1226402e-10 ] [ 2.1382759e-10 2.6805513e-10 4.223484700000001e-10 ] [ 1.618457e-10 3.1241897e-10 1.5507854e-10 ] [ 4.3490152e-10 2.804912e-10 1.3216852e-10 ] [ 4.4046645e-10 1.2397392e-10 3.5926993e-10 ] [ 2.9902576e-10 4.7931635e-10 2.6674171e-10 ] [ 4.7122303e-10 3.6285082e-10 3.9293891e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.09e-05 -1.17e-05 -6e-07 ] [ -2.82e-05 -0.0 4.04e-05 ] [ -1.8e-06 1.16e-05 -2.22e-05 ] [ -1.94e-05 -1.01e-05 9.3e-06 ] [ -2.2e-06 -2.49e-05 -2.08e-05 ] [ 2.41e-05 4.8e-06 4.8e-06 ] [ -3.4e-06 3.04e-05 -1.08e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.950725758272e-14 -1.874546646336e-14 -9.6130597248e-16 ] [ -4.518138070656001e-14 0.0 6.472793548032e-14 ] [ -2.88391791744e-15 1.858524880128e-14 -3.556832098176e-14 ] [ -3.108222644352e-14 -1.618198387008e-14 1.490024257344e-14 ] [ -3.52478856576e-15 -3.989419785791999e-14 -3.332527371264e-14 ] [ 3.861245656128e-14 7.69044777984e-15 7.69044777984e-15 ] [ -5.44740051072e-15 4.870616927232e-14 -1.730350750464e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.270251 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.407869887074782e-18 } }