{ "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" [ [ 2.384535 1.809355 2.901981 ] [ 1.948299 3.967012 2.633856 ] [ 1.645033 3.274995 4.707865 ] [ 4.440095 1.758867 2.666287 ] [ 3.649735 2.240012 5.07701 ] [ 4.164388 4.024114 1.736165 ] [ 3.303688 4.596831 4.046686 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.384535e-10 1.809355e-10 2.901981e-10 ] [ 1.948299e-10 3.967012e-10 2.633856000000001e-10 ] [ 1.645033e-10 3.274995e-10 4.707865e-10 ] [ 4.440095e-10 1.758867e-10 2.666287e-10 ] [ 3.649735e-10 2.240012e-10 5.07701e-10 ] [ 4.164388e-10 4.024114e-10 1.736165e-10 ] [ 3.303688e-10 4.596831e-10 4.046686e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.02237 -1.4262636 0.5637957 ] [ -1.4342177 0.1430847 -3.4404733 ] [ -1.1037232 -0.8999072 1.1431795 ] [ 1.8458663 1.5057226 0.149104 ] [ 0.6596776 0.4405022 -1.010697 ] [ -0.0658176 -0.5132198 1.128701 ] [ 3.1205846 0.7500812 1.46639 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.842370593302579e-09 -2.285126213844722e-09 9.033002968896737e-10 ] [ -2.297870087009222e-09 2.292469630228998e-10 -5.512245931160871e-09 ] [ -1.768359521443709e-09 -1.441810288608365e-09 1.831575483367803e-09 ] [ 2.957403855348034e-09 2.412433567005728e-09 2.388909448359359e-10 ] [ 1.056920036693198e-09 7.057623320655948e-10 -1.619315117453898e-09 ] [ -1.054514208259584e-10 -8.222687716661532e-10 1.808378368972434e-09 ] [ 4.999727730540235e-09 1.201762572242681e-09 2.34941579433126e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.359796005765546 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.941563616544408e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9655592 1.557477 2.7581975 ] [ 1.7169277 3.8449798 2.1316104 ] [ 1.8364641 3.2521832 4.4581831 ] [ 4.2397716 1.8668904 2.8018946 ] [ 4.0121803 2.4002163 5.0230342 ] [ 4.0012106 4.0617347 2.2005767 ] [ 3.7636596 4.6877045 4.3963535 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9655592e-10 1.557477e-10 2.7581975e-10 ] [ 1.7169277e-10 3.8449798e-10 2.1316104e-10 ] [ 1.8364641e-10 3.252183200000001e-10 4.4581831e-10 ] [ 4.2397716e-10 1.8668904e-10 2.8018946e-10 ] [ 4.0121803e-10 2.4002163e-10 5.023034199999999e-10 ] [ 4.0012106e-10 4.0617347e-10 2.2005767e-10 ] [ 3.7636596e-10 4.6877045e-10 4.3963535e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.28e-05 -3.7e-05 1.72e-05 ] [ -1.34e-05 -1.44e-05 -2.58e-05 ] [ -5.22e-05 4.2e-06 3.11e-05 ] [ 5.8e-06 5.3e-06 -7.89e-05 ] [ 4.02e-05 4.5e-06 -3.6e-06 ] [ 8.89e-05 -1.72e-05 4.56e-05 ] [ -1.66e-05 5.45e-05 1.44e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.45949262752e-14 -5.9280535458e-14 2.75574381048e-14 ] [ -2.14691668956e-14 -2.30713435296e-14 -4.133615715719999e-14 ] [ -8.36336202948e-14 6.729141862799999e-15 4.982769331739999e-14 ] [ 9.2926244772e-15 8.4915361602e-15 -1.264117364226e-13 ] [ 6.44075006868e-14 7.209794853e-15 -5.767835882399999e-15 ] [ 1.424335027626e-13 -2.75574381048e-14 7.30592545104e-14 ] [ -2.65961321244e-14 8.7318626553e-14 2.30713435296e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.808943005765546 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.333960226207528e-18 } }