{ "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" [ [ 2.735268 2.856882 0.3239211 ] [ 1.752307 5.080999 1.048158 ] [ 2.257155 3.165316 3.087528 ] [ 4.821596 2.368521 1.002197 ] [ 4.597336 2.893151 3.290106 ] [ 3.849033 4.748793 0.5493667 ] [ 3.5339 4.902962 2.909562 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.735268e-10 2.856882e-10 3.239211e-11 ] [ 1.752307e-10 5.080999e-10 1.048158e-10 ] [ 2.257155e-10 3.165316e-10 3.087528e-10 ] [ 4.821596000000001e-10 2.368521e-10 1.002197e-10 ] [ 4.597336e-10 2.893151e-10 3.290106e-10 ] [ 3.849033e-10 4.748793e-10 5.493667e-11 ] [ 3.5339e-10 4.902962e-10 2.909562e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.9265901 -2.5688113 -1.5495491 ] [ -3.8576202 0.0352665 1.4177331 ] [ -4.278799 -3.8978118 1.0902281 ] [ 2.292588 -0.3516453 0.5262137 ] [ 2.4483171 -2.2952192 0.6836804 ] [ 7.4320515 2.7923947 -1.7424634 ] [ 0.8900526 6.2858264 -0.4258429 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.893267543515723e-09 -4.115689442015164e-09 -2.482651361255729e-09 ] [ -6.180588947286406e-09 5.6503162262961e-11 2.271458846068385e-09 ] [ -6.855391779382566e-09 -6.24498298968948e-09 1.746737987550215e-09 ] [ 3.673130924988791e-09 -5.633978831159202e-10 8.430872946306858e-10 ] [ 3.922636450242642e-09 -3.677346572148172e-09 1.095376762003774e-09 ] [ 1.190745925598465e-08 4.473909541245439e-09 -2.791734145080196e-09 ] [ 1.426021478750948e-09 1.007100418346034e-08 -6.822755441347986e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -12.444011 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.993750365743897e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4752888 2.6358341 -0.3083759 ] [ 2.0405407 4.8095991 0.5842674 ] [ 2.4004685 3.2025417 4.5385603 ] [ 4.6351143 2.6636782 0.7041422 ] [ 4.3532776 2.7098106 3.0771219 ] [ 4.5218022 5.1037 0.773559 ] [ 3.1201029 4.8914603 2.8415639 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4752888e-10 2.6358341e-10 -3.083759e-11 ] [ 2.0405407e-10 4.8095991e-10 5.842674e-11 ] [ 2.4004685e-10 3.2025417e-10 4.538560300000001e-10 ] [ 4.6351143e-10 2.6636782e-10 7.041422000000001e-11 ] [ 4.3532776e-10 2.7098106e-10 3.0771219e-10 ] [ 4.5218022e-10 5.1037e-10 7.73559e-11 ] [ 3.1201029e-10 4.8914603e-10 2.8415639e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0006914 0.0004873 -0.0023628 ] [ -0.0207216 -0.0031413 -0.024941 ] [ -0.0004093 -0.0032462 0.0085728 ] [ -0.0003237 0.0007505 -0.0003628 ] [ -0.0029587 0.0010236 -0.0005674 ] [ 0.0164898 0.0026336 -0.0080145 ] [ 0.007232 0.0014924 0.0276757 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.1077449247476e-12 7.807406737481999e-13 -3.785622950815199e-12 ] [ -3.31996633390944e-11 -5.0329174603842e-12 -3.9959887428594e-11 ] [ -6.557708962961999e-13 -5.200985789290799e-12 1.37351398479552e-11 ] [ -5.186245764258e-13 1.202433563817e-12 -5.812696828151999e-13 ] [ -4.740360007015799e-12 1.6399880025624e-12 -9.090750221315999e-13 ] [ 2.641957225933319e-11 4.219492383302399e-12 -1.2840644633193e-11 ] [ 1.1586941417088e-11 2.3910884085816e-12 4.43413598695938e-11 ] ] } "relaxed-potential-energy" { "source-value" -17.025622 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.727805374771635e-18 } }