{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.1126891 1.464287 0.6414025 ] [ 1.365449 0.1265984 2.502806 ] [ 0.3364486 2.37729 2.80341 ] [ 2.851665 1.424041 0.0715282 ] [ 2.597469 0.5436052 1.609588 ] [ 2.328633 2.330176 2.375244 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.126891e-11 1.464287e-10 6.414025e-11 ] [ 1.365449e-10 1.265984e-11 2.502806e-10 ] [ 3.364486e-11 2.37729e-10 2.80341e-10 ] [ 2.851665e-10 1.424041e-10 7.15282e-12 ] [ 2.597469e-10 5.436052e-11 1.609588e-10 ] [ 2.328633e-10 2.330176e-10 2.375244e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.2255267 -0.4086908 -1.2155776 ] [ -12.0015843 -6.2218563 7.0386884 ] [ -3.4607677 0.628428 1.2946552 ] [ 0.7205304 2.4840621 -7.7895536 ] [ 11.4080288 -2.3632817 -2.0202104 ] [ 4.5593194 5.8813387 2.6919981 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.963510226906176e-09 -6.547948448960487e-10 -1.947570011488174e-09 ] [ -1.922865777802033e-08 -9.968512701837191e-09 1.127722199557616e-08 ] [ -5.544761098959787e-09 1.006852649456102e-09 2.074266293437148e-09 ] [ 1.154416961455672e-09 3.979906221235352e-09 -1.248024066438848e-08 ] [ 1.827767703277308e-08 -3.786394688104479e-09 -3.236733871977016e-09 ] [ 7.304834949439883e-09 9.422943364146265e-09 4.313056419058021e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.5525019 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.896088731127581e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.1464001 1.3186784 0.5034138 ] [ 0.7965728 -0.1217973 2.4260093 ] [ 0.4243487 2.3152667 2.7669555 ] [ 2.4323036 1.7325785 0.0404876 ] [ 3.0824764 0.2921035 1.9630832 ] [ 2.7102521 2.7291678 2.3040293 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.464001e-11 1.3186784e-10 5.034138000000001e-11 ] [ 7.965728e-11 -1.217973e-11 2.4260093e-10 ] [ 4.243487e-11 2.3152667e-10 2.7669555e-10 ] [ 2.4323036e-10 1.7325785e-10 4.04876e-12 ] [ 3.0824764e-10 2.921035e-11 1.9630832e-10 ] [ 2.7102521e-10 2.7291678e-10 2.3040293e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1e-06 3e-07 -9e-06 ] [ 1.9e-06 -2.4e-06 3.1e-06 ] [ 5e-07 3.2e-06 5.2e-06 ] [ -3.1e-06 8e-07 -7.9e-06 ] [ 1.6e-06 -3.4e-06 3.8e-06 ] [ 1e-07 1.6e-06 4.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.6021766208e-15 4.8065298624e-16 -1.44195895872e-14 ] [ 3.04413557952e-15 -3.84522388992e-15 4.96674752448e-15 ] [ 8.010883104e-16 5.126965186560001e-15 8.33131842816e-15 ] [ -4.96674752448e-15 1.28174129664e-15 -1.265719530432e-14 ] [ 2.56348259328e-15 -5.44740051072e-15 6.08827115904e-15 ] [ 1.6021766208e-16 2.56348259328e-15 7.53023011776e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.328753 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.295719306181786e-18 } }