{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.101107 2.382088 1.155059 ] [ 1.870329 4.675053 0.5879216 ] [ 2.558831 4.133121 3.113399 ] [ 4.446179 2.802067 2.809564 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.101107e-10 2.382088e-10 1.155059e-10 ] [ 1.870329e-10 4.675053e-10 5.879216e-11 ] [ 2.558831e-10 4.133121e-10 3.113399e-10 ] [ 4.446179e-10 2.802067e-10 2.809564e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 134.2816161 -131.8396636 17.6557348 ] [ -7.2853634 65.0498402 -17.208372 ] [ -157.5851312 223.2815752 136.0566398 ] [ 30.5888785 -156.4917518 -136.5040026 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.151428659186609e-07 -2.112304267140567e-07 2.828760551960496e-08 ] [ -1.1672438913512e-08 1.04221333155216e-07 -2.757085130042934e-08 ] [ -2.524792129943407e-07 3.577365196408371e-07 2.179867673921668e-07 ] [ 4.900878598919177e-08 -2.507274260819963e-07 -2.187035216113424e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 56.512811 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 9.054350455988907e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6267478 2.001476 0.5183311 ] [ 1.3999111 4.6109872 0.8380529 ] [ 2.8614684 4.9946837 3.3146445 ] [ 4.0883187 2.3851822 2.9949151 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6267478e-10 2.001476e-10 5.183311000000001e-11 ] [ 1.3999111e-10 4.6109872e-10 8.380529e-11 ] [ 2.8614684e-10 4.9946837e-10 3.3146445e-10 ] [ 4.0883187e-10 2.3851822e-10 2.9949151e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.6e-06 1.47e-05 -4.6e-06 ] [ 1.8e-06 -2.36e-05 -1.12e-05 ] [ 1.09e-05 5.3e-06 1.51e-05 ] [ -5.1e-06 3.6e-06 8e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.217654231808e-14 2.355199632576e-14 -7.370012455680001e-15 ] [ 2.88391791744e-15 -3.781136825088e-14 -1.794437815296e-14 ] [ 1.746372516672e-14 8.491536090240001e-15 2.419286697408e-14 ] [ -8.17110076608e-15 5.76783583488e-15 1.28174129664e-15 ] ] } "relaxed-potential-energy" { "source-value" -9.3275482 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.494437965542512e-18 } }