{ "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" [ [ 1.232696 1.429874 2.018017 ] [ 2.664166 0.3933008 4.008788 ] [ 2.480457 2.487888 4.841749 ] [ 1.659099 3.474448 2.765735 ] [ 4.127261 1.03872 2.31822 ] [ 4.538799 1.714568 4.545045 ] [ 3.952007 3.51716 3.378238 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.232696e-10 1.429874e-10 2.018017e-10 ] [ 2.664166e-10 3.933008e-11 4.008788e-10 ] [ 2.480457e-10 2.487888e-10 4.841749e-10 ] [ 1.659099e-10 3.474448e-10 2.765735e-10 ] [ 4.127261e-10 1.03872e-10 2.31822e-10 ] [ 4.538799e-10 1.714568e-10 4.545045e-10 ] [ 3.952007e-10 3.51716e-10 3.378238e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.2960324 -1.5917543 -1.9026816 ] [ -5.6280443 -7.5382584 0.303095 ] [ -7.8150833 3.0568006 9.5121465 ] [ -2.7482584 2.4386544 -1.7932756 ] [ 3.1520985 -3.3630663 -7.7119129 ] [ 10.0814521 -1.5247499 5.6842853 ] [ 4.2538677 8.5223739 -4.0916568 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.076472811079314e-09 -2.550271525517869e-09 -3.048431976346337e-09 ] [ -9.017120998286702e-09 -1.207762137002922e-08 4.85611722881376e-10 ] [ -1.252114375286451e-08 4.897534455767413e-09 1.524013873592455e-08 ] [ -4.403195356397215e-09 3.907155065891052e-09 -2.873144240971093e-09 ] [ 5.050218523158749e-09 -5.388226200060359e-09 -1.235584655002593e-08 ] [ 1.615226685833506e-08 -2.442918642347138e-09 9.107229013617114e-09 ] [ 6.815447376916268e-09 1.365434821629612e-08 -6.555556865297342e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -1.3213996 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.117115545854472e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.7476864 1.1986555 2.0045121 ] [ 1.7026893 0.1057578 4.1604254 ] [ 2.2345215 2.1747864 5.2921013 ] [ 1.9068711 3.3902202 3.1549879 ] [ 4.0784148 1.3871194 1.3908314 ] [ 4.6219657 2.4769747 5.0614315 ] [ 4.3623362 3.3224449 2.8115024 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7476864e-10 1.1986555e-10 2.0045121e-10 ] [ 1.7026893e-10 1.057578e-11 4.1604254e-10 ] [ 2.2345215e-10 2.1747864e-10 5.2921013e-10 ] [ 1.9068711e-10 3.3902202e-10 3.1549879e-10 ] [ 4.0784148e-10 1.3871194e-10 1.3908314e-10 ] [ 4.6219657e-10 2.4769747e-10 5.0614315e-10 ] [ 4.3623362e-10 3.3224449e-10 2.8115024e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.7e-06 -3.1e-06 -8e-06 ] [ -1.4e-06 1e-07 2.7e-06 ] [ -4e-06 -9e-07 1.55e-05 ] [ -8.2e-06 5.2e-06 2.5e-06 ] [ 6e-07 -1.1e-05 -2.3e-05 ] [ 7e-07 3.6e-06 1.11e-05 ] [ 9.5e-06 6e-06 -7e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.32587687616e-15 -4.96674752448e-15 -1.28174129664e-14 ] [ -2.24304726912e-15 1.6021766208e-16 4.32587687616e-15 ] [ -6.4087064832e-15 -1.44195895872e-15 2.48337376224e-14 ] [ -1.313784829056e-14 8.33131842816e-15 4.005441552e-15 ] [ 9.6130597248e-16 -1.76239428288e-14 -3.68500622784e-14 ] [ 1.12152363456e-15 5.76783583488e-15 1.778416049088e-14 ] [ 1.52206778976e-14 9.6130597248e-15 -1.12152363456e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.267203 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.805204922840762e-18 } }