{ "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" [ [ 1.3489935 -50.3725304 -0.3500994 ] [ -62.4262421 -39.3255588 -8.6893342 ] [ -45.8355706 7.5594389 34.813314 ] [ 3.7996867 46.8923448 9.1668508 ] [ 18.4675979 -2.7999888 -36.3733148 ] [ 68.4614459 2.6280788 27.5730875 ] [ 16.1840887 35.4182156 -26.1405038 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.161325847311165e-09 -8.070569053741727e-08 -5.609210736361075e-10 ] [ -1.000178656170207e-07 -6.30064909092557e-08 -1.392184810555787e-08 ] [ -7.343667961634782e-08 1.211155627194607e-08 5.577707778336933e-08 ] [ 6.087769197104704e-09 7.512981853305244e-08 1.468691403812178e-08 ] [ 2.958835359771518e-08 -4.486076593861848e-09 -5.827647459355863e-08 ] [ 1.09687328047144e-07 4.210646410980119e-09 4.417695615577272e-08 ] [ 2.592976854409347e-08 5.674623698477385e-08 -4.188170404429356e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 36.462944 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.842007640233964e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4376769 1.3473841 1.8249656 ] [ 2.3900837 -0.0284787 4.1190807 ] [ 1.9722953 2.4545933 5.4316585 ] [ 1.6253419 3.7348387 3.0771476 ] [ 4.2510297 0.9758555 1.9253226 ] [ 4.678528 1.8611953 4.8093751 ] [ 4.2995294 3.7105705 2.688242 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4376769e-10 1.3473841e-10 1.8249656e-10 ] [ 2.3900837e-10 -2.84787e-12 4.1190807e-10 ] [ 1.9722953e-10 2.4545933e-10 5.4316585e-10 ] [ 1.6253419e-10 3.7348387e-10 3.0771476e-10 ] [ 4.2510297e-10 9.758555e-11 1.9253226e-10 ] [ 4.678528000000001e-10 1.8611953e-10 4.8093751e-10 ] [ 4.2995294e-10 3.710570500000001e-10 2.688242e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.7e-06 1.35e-05 -1.58e-05 ] [ 2.67e-05 -1.47e-05 -5.9e-06 ] [ -3.28e-05 1.68e-05 2.52e-05 ] [ -9.5e-06 1e-05 2.35e-05 ] [ 1.1e-06 -2.87e-05 -3.9e-06 ] [ 2.2e-06 -1.73e-05 1.98e-05 ] [ 5.7e-06 2.03e-05 -4.29e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.073458335936e-14 2.16293843808e-14 -2.531439060864e-14 ] [ 4.277811577536e-14 -2.355199632576e-14 -9.45284206272e-15 ] [ -5.255139316223999e-14 2.691656722944e-14 4.037485084416e-14 ] [ -1.52206778976e-14 1.6021766208e-14 3.76511505888e-14 ] [ 1.76239428288e-15 -4.598246901696e-14 -6.24848882112e-15 ] [ 3.52478856576e-15 -2.771765553984e-14 3.172309709184e-14 ] [ 9.13240673856e-15 3.252418540224e-14 -6.873337703232e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.651734 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.148554877298047e-18 } }