{ "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" [ [ 1.570546 2.153895 2.543093 ] [ 2.524346 2.661693 4.212043 ] [ 2.241813 4.238266 2.673997 ] [ 3.729345 1.325386 1.859362 ] [ 4.629957 2.667135 3.458757 ] [ 3.970969 3.734581 1.387215 ] [ 4.050613 4.976756 3.428708 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.570546e-10 2.153895e-10 2.543093e-10 ] [ 2.524346e-10 2.661693e-10 4.212043000000001e-10 ] [ 2.241813e-10 4.238266e-10 2.673997e-10 ] [ 3.729345e-10 1.325386e-10 1.859362e-10 ] [ 4.629957e-10 2.667135e-10 3.458757e-10 ] [ 3.970969e-10 3.734581e-10 1.387215e-10 ] [ 4.050613e-10 4.976756e-10 3.428708e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -56.9589713 -52.5385721 -95.1032329 ] [ 49.9104096 14.4812437 110.7479707 ] [ -41.43348 24.0277437 -26.4601212 ] [ -8.1620262 -11.2266111 -10.6801888 ] [ 13.8332945 2.6521948 14.4185854 ] [ 2.5425449 -8.2305699 -29.7287644 ] [ 40.2682285 30.8345709 36.8057512 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.125833216167819e-08 -8.417607190883518e-08 -1.523721763148774e-07 ] [ 7.996529139567188e-08 2.320151009624729e-08 1.774378094565834e-07 ] [ -6.63837529743844e-08 3.849668920671449e-08 -4.239378757017444e-08 ] [ -1.307700755599707e-08 -1.798701383523377e-08 -1.711154880109001e-08 ] [ 2.216338103654123e-08 4.249284502367332e-09 2.310112043288822e-08 ] [ 4.073605996114274e-09 -1.31868266696402e-08 -4.763073128695134e-08 ] [ 6.451681426373225e-08 4.940242860838001e-08 5.896931408362155e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 14.854361 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.379930991112331e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.3763076 1.8019189 2.4011036 ] [ 2.3441991 2.6373547 4.6895117 ] [ 2.0083399 4.3648548 2.6760786 ] [ 3.7470641 1.2611008 1.5980383 ] [ 4.6942763 2.6362544 3.6265516 ] [ 4.1350051 3.813887 1.1517672 ] [ 4.4123968 5.2423414 3.4201241 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3763076e-10 1.8019189e-10 2.4011036e-10 ] [ 2.3441991e-10 2.6373547e-10 4.6895117e-10 ] [ 2.0083399e-10 4.3648548e-10 2.6760786e-10 ] [ 3.7470641e-10 1.2611008e-10 1.5980383e-10 ] [ 4.694276300000001e-10 2.6362544e-10 3.6265516e-10 ] [ 4.1350051e-10 3.813887e-10 1.1517672e-10 ] [ 4.4123968e-10 5.2423414e-10 3.4201241e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.75e-05 -3.11e-05 -8.7e-06 ] [ 1.32e-05 1.68e-05 -7.2e-06 ] [ -2.03e-05 2.4e-06 -7.3e-06 ] [ -2.43e-05 2.9e-06 7.6e-06 ] [ 1.9e-06 -4.02e-05 5.5e-05 ] [ -1.12e-05 3.5e-05 -5.4e-05 ] [ 2.32e-05 1.42e-05 1.45e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.8038090864e-14 -4.982769290688e-14 -1.393893660096e-14 ] [ 2.114873139456e-14 2.691656722944e-14 -1.153567166976e-14 ] [ -3.252418540224e-14 3.84522388992e-15 -1.169588933184e-14 ] [ -3.893289188544e-14 4.646312200320001e-15 1.217654231808e-14 ] [ 3.04413557952e-15 -6.440750015616e-14 8.8119714144e-14 ] [ -1.794437815296e-14 5.6076181728e-14 -8.65175375232e-14 ] [ 3.717049760256e-14 2.275090801536e-14 2.32315610016e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.607675 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.942584157724464e-18 } }