{ "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" [ [ 2.743488 1.903222 1.191758 ] [ 2.092285 1.109675 3.649357 ] [ 1.94045 3.241003 2.726585 ] [ 4.050079 0.1031898 2.277213 ] [ 5.000478 2.032764 2.106801 ] [ 4.158728 1.007331 4.48257 ] [ 3.981083 3.39009 3.613579 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743488e-10 1.903222e-10 1.191758e-10 ] [ 2.092285e-10 1.109675e-10 3.649357e-10 ] [ 1.94045e-10 3.241003e-10 2.726585e-10 ] [ 4.050079e-10 1.031898e-11 2.277213e-10 ] [ 5.000478000000001e-10 2.032764e-10 2.106801e-10 ] [ 4.158728e-10 1.007331e-10 4.48257e-10 ] [ 3.981083e-10 3.39009e-10 3.613579e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.6862371 -1.6472542 1.0151288 ] [ 1.148623 0.9364637 -2.7822063 ] [ -2.2877286 2.1888721 0.6498614 ] [ -2.7816098 -2.3501563 0.400666 ] [ 0.4966427 1.6685159 0.5606009 ] [ 2.5445749 1.5665902 -0.5912526 ] [ -0.8067394 -2.3630315 0.7472018 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.701649658745592e-09 -2.639192167754607e-09 1.626415630460759e-09 ] [ 1.840296916713158e-09 1.500380246367865e-09 -4.457585888102471e-09 ] [ -3.665345277655515e-09 3.5069597045414e-09 1.041192741840357e-09 ] [ -4.456630189748164e-09 -3.765365479085831e-09 6.419376979494528e-10 ] [ 7.957093228309881e-10 2.673257166413071e-09 8.981816555794387e-10 ] [ 4.076858414654498e-09 2.509954192814396e-09 -9.472910927072141e-10 ] [ -1.292539005758219e-09 -3.785993823513955e-09 1.197149254979677e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -26.423176 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.233459483448367e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.0159489 2.072067 1.3914859 ] [ 2.1922219 1.2476615 3.6005219 ] [ 1.4764325 3.3640186 2.7114879 ] [ 3.7775049 -0.0286455 2.3034472 ] [ 5.2792901 1.8639335 2.2028159 ] [ 4.4817925 1.0657723 4.3415243 ] [ 3.7434003 3.2024673 3.4965798 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.0159489e-10 2.072067e-10 1.3914859e-10 ] [ 2.1922219e-10 1.2476615e-10 3.6005219e-10 ] [ 1.4764325e-10 3.3640186e-10 2.7114879e-10 ] [ 3.7775049e-10 -2.86455e-12 2.3034472e-10 ] [ 5.2792901e-10 1.8639335e-10 2.2028159e-10 ] [ 4.4817925e-10 1.0657723e-10 4.3415243e-10 ] [ 3.7434003e-10 3.2024673e-10 3.4965798e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1e-05 1.45e-05 -6e-07 ] [ -4.45e-05 3.63e-05 -6e-07 ] [ -2.2e-06 -3e-05 9.1e-06 ] [ -2.11e-05 -1.52e-05 -5.6e-06 ] [ 7.69e-05 3.22e-05 -4.49e-05 ] [ 9.4e-06 -9.7e-06 5.45e-05 ] [ -8.5e-06 -2.8e-05 -1.19e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.6021766208e-14 2.32315610016e-14 -9.6130597248e-16 ] [ -7.129685962560001e-14 5.815901133504e-14 -9.6130597248e-16 ] [ -3.52478856576e-15 -4.8065298624e-14 1.457980724928e-14 ] [ -3.380592669888e-14 -2.435308463616e-14 -8.972189076479999e-15 ] [ 1.2320738213952e-13 5.159008718975999e-14 -7.193773027392e-14 ] [ 1.506046023552e-14 -1.554111322176e-14 8.731862583360001e-14 ] [ -1.36185012768e-14 -4.48609453824e-14 -1.906590178752e-14 ] ] } "relaxed-potential-energy" { "source-value" -29.696934 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.757973336424062e-18 } }